818	762	891	0:SP2_SP2_SP2	C[5,6,6]	C[6,6]	S[5]	4:3:2:	3:4:3:	3:3:	C[5,3x6]-4:C[6,6]-3:S[5]-2:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[5,6,6]-3:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]C[6a])(S[5]C[5])	C[6,6](C[5,6,6]C[5,3x6]S[5])(C[3x6]C[5,6,6]2H)(C[6a]C[6a]2)	S[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]C[6a])(S[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]S[5])(C[3x6]C[5,6,6]2H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	S[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]H){1|C<3>,1|H<1>,3|C<4>}	130.8260	0.000	1	130.8260	0.000	1	130.8260	0.000	1	130.8260	0.000	1	130.8260	0.000	1	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6,6]	S[5]	3:3:2:	3:3:2:	3:3:	C[6,6]-3:N[5,6]-3:S[5]-2:	C[5a,6,6]-3:C[5,6]-3:C[6]-2:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[6,6]C[5a,6,6]C[6])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6])	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5,6])	C[5,6](C[6,6]C[5a,6,6]C[6])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|N<3>,2|O<2>,4|C<3>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6]){1|B<4>,1|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5,6]){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	121.7680	0.000	1	121.7680	0.000	1	121.7680	0.000	1	123.3750	2.101	3	125.6046	10.373	5	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6,6]	S[5]	3:3:2:	3:3:2:	3:3:	N[5,6]-3:C[6,6]-3:S[5]-2:	C[5,6]-3:C[6,6]-3:N[6]-2:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(C[6,6]C[6,6]N[6])(S[5]C[5,6a])	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]N[6]O[6])(N[6]N[6])	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5,6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6,6]C[6,6]N[6])(S[5]C[5,6a]){1|O<2>,2|C<3>,2|F<1>,2|N<3>}	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]N[6]O[6])(N[6]N[6]){1|H<1>,2|B<4>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5,6]){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	124.1785	0.573	2	124.1785	0.329	2	124.1785	0.329	2	123.3750	2.101	3	125.6046	10.373	5	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6,6]	S[5]	3:3:2:	3:3:3:	3:3:	N[5,6]-3:C[6,6]-3:S[5]-2:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a])	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5,6])	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a]){1|C<4>,1|O<1>,4|C<3>}	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5,6]){1|H<1>,1|O<2>,4|C<3>}	128.9490	0.083	2	128.9490	0.007	2	128.9490	0.007	2	128.9490	0.007	2	125.6046	10.373	5	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:2:3:	3:2:2:	3:3:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6]-3:N[6]-2:C-2:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]N[6]C)	C[6](C[5,6]N[5,6]S[5])(N[6]N[6])(CN)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]N[6]C){1|N<3>,2|C<3>,2|F<1>}	C[6](C[5,6]N[5,6]S[5])(N[6]N[6])(CN){1|B<4>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,1|C<2>,1|H<1>,1|N<2>,2|C<3>}	124.9070	0.000	1	124.9070	0.000	1	124.9070	0.000	1	124.9070	0.000	1	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:2:3:	3:3:1:	3:3:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(H){1|B<4>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,2|H<1>,3|C<3>}	124.3098	0.562	6	124.3098	0.315	6	123.5704	4.490	10	123.5704	4.490	10	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:2:3:	3:3:1:	3:3:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|O<2>,2|F<1>,3|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,2|H<1>,3|C<3>}	124.6195	0.005	2	123.9970	1.163	3	123.5704	4.490	10	123.5704	4.490	10	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:2:3:	3:3:1:	3:3:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|O<2>,5|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,2|H<1>,3|C<3>}	122.7520	0.000	1	123.9970	1.163	3	123.5704	4.490	10	123.5704	4.490	10	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:2:3:	3:3:1:	3:3:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]Nb[6])(S[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6]O[6]C)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]Nb[6])(S[5]C[5,6a])(C[6]C[6]H){1|C<4>,2|C<3>,5|O<2>}	C[6](C[5,6]N[5,6]S[5])(C[6]O[6]C)(H){1|Nb<6>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|Nb<6>,2|H<1>,3|C<3>}	117.8540	0.000	1	117.8540	0.000	1	123.5704	4.490	10	123.5704	4.490	10	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:2:3:	3:3:1:	5:3:	C[5,6]-3:S[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	Ga[5,5]-5:C[5,6]-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)	S[5](Ga[5,5]O[5]2S[5]O)(C[5,6]C[5,6]C[6])	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>}	S[5](Ga[5,5]O[5]2S[5]O)(C[5,6]C[5,6]C[6]){1|H<1>,4|C<3>}	122.9500	0.642	2	122.9500	0.412	2	122.9500	0.412	2	122.9500	0.412	2	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:2:3:	3:3:1:	6:3:	C[5,6]-3:S[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	Ga[3x5]-6:C[5,6]-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)	S[5](Ga[3x5]O[5]3S[5]2)(C[5,6]C[5,6]C[6])	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>}	S[5](Ga[3x5]O[5]3S[5]2)(C[5,6]C[5,6]C[6]){1|H<1>,6|C<3>}	123.7407	0.581	3	123.7407	0.338	3	123.7407	0.338	3	123.7407	0.338	3	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:2:3:	3:4:3:	3:3:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	124.5830	0.000	1	124.5830	0.000	1	125.4295	1.433	2	125.4295	1.433	2	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:2:3:	3:4:3:	3:3:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CC[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|H<1>,2|C<4>,3|C<3>}	126.2760	0.000	1	126.2760	0.000	1	125.4295	1.433	2	125.4295	1.433	2	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:2:1:	3:3:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-2:F-1:	C[5,6]-3:C[5]-3:	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)	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5])	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>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]){1|Ir<6>,1|F<1>,2|C<2>,2|C<3>}	129.9120	0.000	1	129.9120	0.000	1	129.9120	0.000	1	129.9120	0.000	1	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:Se[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)	S[5](C[5,6]C[5,6]C[6])(Se[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|Br<1>,1|C<3>,1|N<3>}	122.5770	0.376	2	122.5770	0.142	2	122.5770	0.142	2	122.9425	1.787	37	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:S[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)	S[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|Cl<1>,2|C<3>}	124.2990	0.068	2	124.2990	0.005	2	124.2990	0.005	2	122.9425	1.787	37	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:Se[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)	S[5](C[5,6]C[5,6]C[6])(Se[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|Cl<1>,1|C<3>,1|N<3>}	122.8743	0.611	7	122.8743	0.373	7	122.8743	0.373	7	122.9425	1.787	37	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:S[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)	S[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|F<1>,2|C<3>}	123.8220	0.990	2	123.8220	0.980	2	123.8220	0.980	2	122.9425	1.787	37	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:S[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)	S[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|H<1>,2|C<3>}	123.0235	0.646	2	123.0235	0.417	2	123.0235	0.417	2	122.9425	1.787	37	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:N[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)	S[5](C[5,6]C[5,6]C[6])(N[5]S[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>}	S[5](C[5,6]C[5,6]C[6])(N[5]S[5]){1|O<1>,2|C<3>}	123.2878	0.591	4	123.2878	0.349	4	123.2878	0.349	4	122.9425	1.787	37	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:O-1:	C[5,6]-3:S[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)	S[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|O<1>,2|C<3>}	121.0208	0.942	6	121.0208	0.888	6	121.0208	0.888	6	122.9425	1.787	37	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:S[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)	S[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|C<3>,1|F<1>,1|N<3>}	125.7015	0.035	2	125.7015	0.001	2	125.7015	0.001	2	122.9425	1.787	37	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:N[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)	S[5](C[5,6]C[5,6]C[6])(N[5]S[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>}	S[5](C[5,6]C[5,6]C[6])(N[5]S[5]){1|O<1>,2|C<3>}	123.4061	0.654	8	123.4061	0.428	8	123.4061	0.428	8	122.9425	1.787	37	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:S[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)	S[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|O<1>,2|C<3>}	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	122.9425	1.787	37	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	3:2:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:Ge[5]-2:	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]Ge[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H)	S[5](C[5,6]N[5,6]C[6])(Ge[5]O[5])	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]Ge[5]){1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H){1|Ge<2>,1|C<3>,1|H<1>,1|O<2>}	S[5](C[5,6]N[5,6]C[6])(Ge[5]O[5]){1|H<1>,2|C<3>}	123.0740	0.000	1	123.0740	0.000	1	123.0740	0.000	1	122.9425	1.787	37	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:C[5]-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)	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5])	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>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]){1|Pt<4>,1|H<1>,4|C<3>}	128.5270	0.000	1	128.4285	0.019	2	127.3666	5.500	5	126.3074	6.972	7	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:C[5]-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)	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5])	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>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]){1|Pt<4>,1|C<2>,1|H<1>,3|C<3>}	128.3300	0.000	1	128.4285	0.019	2	127.3666	5.500	5	126.3074	6.972	7	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:C[5]-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)	S[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)	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>}	S[5](C[5,6]C[5,6]C[6])(C[5]N[5]C){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	127.6030	0.000	1	127.6030	0.000	1	127.3666	5.500	5	126.3074	6.972	7	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:C[5]-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)	S[5](C[5,6]C[5,6]C[6])(C[5]N[5]S)	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>}	S[5](C[5,6]C[5,6]C[6])(C[5]N[5]S){1|Re<6>,1|C<2>,1|C<3>,1|H<1>}	129.0920	0.000	1	129.0920	0.000	1	127.3666	5.500	5	126.3074	6.972	7	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	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:C[5]-3:	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)	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]S[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>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]S[5]){1|C<2>,1|C<3>,1|H<1>,2|S<2>}	123.2810	0.000	1	123.2810	0.000	1	127.3666	5.500	5	126.3074	6.972	7	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	3:3:	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[5,6]-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)	S[5](C[5,6]C[5,6]C[6])(C[5,6]N[5,6]N[6])	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>}	S[5](C[5,6]C[5,6]C[6])(C[5,6]N[5,6]N[6]){1|C<4>,1|O<1>,3|C<3>}	123.3410	0.000	1	123.3410	0.000	1	123.3410	0.000	1	126.3074	6.972	7	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]H)(S[5]C[5,6a])	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]H)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(H){1|B<4>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,2|H<1>,3|C<3>}	123.9780	0.000	1	123.9780	0.000	1	123.9780	0.000	1	126.3074	6.972	7	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	3:4:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]H)(H)	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(S[5]C[5]){3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]H)(H){2|C<3>,2|C<4>}	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){2|H<1>,3|C<3>}	124.6570	0.368	2	124.6570	0.135	2	124.6570	0.135	2	124.6570	0.135	2	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:1:	3:6:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:In[5]-6:	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]In[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H)	S[5](C[5,6]N[5,6]C[6])(In[5]O[5]3Cl2)	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]In[5]){2|Cl<1>,1|C<3>,2|H<1>,2|O<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|O<2>}	S[5](C[5,6]N[5,6]C[6])(In[5]O[5]3Cl2){1|H<1>,2|C<3>,4|C<4>}	123.1930	0.000	1	123.1930	0.000	1	123.1930	0.000	1	123.1930	0.000	1	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:2:	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:S[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)	S[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|O<2>,2|C<3>}	122.9605	2.235	2	122.9605	4.996	2	122.9605	4.996	2	122.9605	4.996	2	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:2:	3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:C-2:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]C)(S[5]C[5,6a])	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(CN)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(CN){1|B<4>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	122.6140	0.000	1	122.6140	0.000	1	122.6140	0.000	1	123.9406	1.110	8	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:2:	3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6,6]-3:C-2:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a])	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	123.8798	0.791	6	123.8798	0.625	6	123.8798	0.625	6	123.9406	1.110	8	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:2:	3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5a,6]-3:C[5,6]-3:C-2:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5a,6]C)(S[5]C[5,6a])	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5a,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN){1|B<4>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	125.6320	0.000	1	125.6320	0.000	1	125.6320	0.000	1	123.9406	1.110	8	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	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:S[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)	S[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|N<3>,2|C<3>}	124.5907	1.072	8	124.5907	1.149	8	124.5907	1.149	8	124.2412	1.752	10	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	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:S[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)	S[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(S[5]N[5]){3|C<3>}	122.8430	1.686	2	122.8430	2.842	2	122.8430	2.842	2	124.2412	1.752	10	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(C[6a]C[6a]2)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|N<3>,2|F<1>,5|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,1|H<1>,4|C<3>}	123.3795	1.200	2	123.3795	1.440	2	123.3013	0.507	7	123.3013	0.507	7	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|O<2>,2|F<1>,5|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,1|H<1>,4|C<3>}	123.3630	0.526	3	123.2700	0.396	5	123.3013	0.507	7	123.3013	0.507	7	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|O<2>,7|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,1|H<1>,4|C<3>}	123.1305	0.984	2	123.2700	0.396	5	123.3013	0.507	7	123.3013	0.507	7	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:4:	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:S[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)	S[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|C<4>,2|C<3>}	123.0545	0.261	2	123.0545	0.068	2	123.0545	0.068	2	122.3888	0.698	4	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:3:4:	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:Se[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)	S[5](C[5,6]C[5,6]C[6])(Se[5]N[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>}	S[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|C<3>,1|C<4>,1|N<3>}	121.7230	0.502	2	121.7230	0.252	2	121.7230	0.252	2	122.3888	0.698	4	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:4:1:	3:3:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[5]-3:	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)	S[5](C[5,6]C[5,6]C[6])(C[5]O[5]N)	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>}	S[5](C[5,6]C[5,6]C[6])(C[5]O[5]N){1|O<1>,2|C<4>}	125.6820	0.000	1	125.6820	0.000	1	125.6820	0.000	1	125.6820	0.000	1	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:4:3:	3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:S[5]-2:	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)	S[5](C[5,6]C[5,6]C[6])(S[5]C[5])	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>}	S[5](C[5,6]C[5,6]C[6])(S[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	121.9950	0.000	1	121.9950	0.000	1	121.9950	0.000	1	121.9950	0.000	1	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:4:3:	3:4:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(S[5]C[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CCO)	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(S[5]C[5]){1|C<4>,1|O<1>,6|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CCO){1|S<2>,2|C<3>,2|C<4>}	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	126.5200	0.000	1	126.5200	0.000	1	126.5200	0.000	1	127.6615	2.606	2	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:4:3:	3:4:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-4:N-3:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(S[5]C[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO)	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(S[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO){1|S<2>,2|C<4>,4|C<3>}	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	128.8030	0.000	1	128.8030	0.000	1	128.8030	0.000	1	127.6615	2.606	2	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	3:4:4:	3:3:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-3:	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)	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]S[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>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]S[5]){1|C<3>,2|C<4>,2|S<2>}	121.5275	2.118	2	121.5275	4.485	2	121.5275	4.485	2	121.5275	4.485	2	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	4:3:3:	3:4:	N[5,6]-3:C[6]-3:S[5]-2:	C[6]-4:C[5,6]-3:C-3:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5])	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO)	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO){2|C<4>,4|C<3>}	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	125.8720	0.000	1	125.8720	0.000	1	125.2447	0.423	3	125.2447	0.423	3	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	4:3:3:	3:4:	N[5,6]-3:C[6]-3:S[5]-2:	C[6]-4:C[5,6]-3:C-3:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5])	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O)	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O){2|C<4>,4|C<3>}	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	125.2880	0.000	1	125.2880	0.000	1	125.2447	0.423	3	125.2447	0.423	3	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	3:3:2:	4:3:3:	3:4:	N[5,6]-3:C[6]-3:S[5]-2:	C[6]-4:C[5,6]-3:C-3:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5])	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O)	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O){2|C<4>,4|C<3>}	S[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	124.5740	0.000	1	124.5740	0.000	1	125.2447	0.423	3	125.2447	0.423	3	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5,6]	C[6]	S[5]	4:3:2:	4:3:1:	3:3:	C[5,6]-4:C[6]-3:S[5]-2:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])(H)	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(S[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[5]C){2|C<4>,3|H<1>}	128.0200	0.000	1	128.0200	0.000	1	128.0200	0.000	1	128.0200	0.000	1	123.7978	3.717	107	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	2:2:3:	3:2:2:	3:3:	C[5]-2:S[5]-2:C[6]-3:	C[5]-3:C[6]-2:C[6]-2:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]2)	C[6](C[5]C[5]S[5])(C[6]C[6])2	S[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]C[6])	C[5](C[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]2){2|C<2>,2|C<3>}	C[6](C[5]C[5]S[5])(C[6]C[6])2{3|C<3>}	S[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]C[6]){2|C<3>,3|C<2>}	121.1020	0.195	2	121.1020	0.038	2	121.1020	0.038	2	122.0720	0.235	26	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	2:2:3:	3:2:2:	3:3:	S[5]-2:S[5]-2:C[6]-3:	C[5]-3:S[6]-2:S[6]-2:	C[5,5a]-3:C[5]-3:	C[5](S[5]C[5,5a])2(C[6]S[6]2)	C[6](C[5]S[5]2)(S[6]C[6])2	S[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6]S[5])	C[5](S[5]C[5,5a])2(C[6]S[6]2){2|C<4>,2|S<2>}	C[6](C[5]S[5]2)(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	S[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6]S[5]){1|C<3>,3|S<2>}	122.1528	0.406	24	122.1528	0.165	24	122.1528	0.165	24	122.0720	0.235	26	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	2:2:3:	3:3:3:	3:3:	S[5]-2:S[5]-2:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5,5]-3:C[5]-3:	C[5](S[5]C[5,5])2(C[6]C[6]2)	C[6](C[5]S[5]2)(C[6]C[6]H)2	S[5](C[5,5]C[5,5]Se[5])(C[5]C[6]S[5])	C[5](S[5]C[5,5])2(C[6]C[6]2){2|Se<2>,2|C<3>,2|H<1>}	C[6](C[5]S[5]2)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|H<1>}	S[5](C[5,5]C[5,5]Se[5])(C[5]C[6]S[5]){1|Se<2>,3|C<3>}	122.3355	0.493	2	122.3355	0.243	2	122.3355	0.243	2	122.4680	0.115	4	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	2:2:3:	3:3:3:	3:3:	S[5]-2:S[5]-2:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[5]-3:	C[5](S[5]C[5,6])2(C[6]C[6]2)	C[6](C[5]S[5]2)(C[6]C[6]H)2	S[5](C[5,6]C[5,6]O[6])(C[5]C[6]S[5])	C[5](S[5]C[5,6])2(C[6]C[6]2){2|C<3>,2|H<1>,2|O<2>}	C[6](C[5]S[5]2)(C[6]C[6]H)2{1|S<2>,2|C<3>,2|H<1>}	S[5](C[5,6]C[5,6]O[6])(C[5]C[6]S[5]){1|C<4>,1|O<2>,2|C<3>}	122.6005	0.182	2	122.6005	0.033	2	122.6005	0.033	2	122.4680	0.115	4	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:2:	3:3:3:	3:2:	C[6]-3:S[5]-2:S[5]-2:	C[6]-3:C[5]-3:C[6]-3:	C[5]-3:S[5]-2:	C[5](C[6]C[6]2)(S[5]C[5])(S[5]S[5])	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H)	S[5](C[5]C[6]S[5])(S[5]C[5])	C[5](C[6]C[6]2)(S[5]C[5])(S[5]S[5]){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	S[5](C[5]C[6]S[5])(S[5]C[5]){3|C<3>}	122.1820	0.000	1	122.1820	0.000	1	122.1820	0.000	1	122.1820	0.000	1	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:2:	3:3:3:	3:3:	C[6]-3:S[5]-2:S[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O)	S[5](C[5]C[6]S[5])(C[5]C[5]C)	C[5](C[6]C[6]2)(S[5]C[5])2{1|H<1>,1|O<1>,4|C<3>}	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	S[5](C[5]C[6]S[5])(C[5]C[5]C){3|C<3>}	122.4590	1.932	2	122.4590	3.732	2	122.4590	3.732	2	122.0628	6.831	5	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:2:	3:3:3:	3:3:	C[6]-3:S[5]-2:S[5]-2:	C[6,6a]-3:C[6]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6,6a]C[6])(S[5]C[5])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(C[5]S[5]2)	S[5](C[5]C[6]S[5])(C[5]C[5]S)	C[5](C[6]C[6,6a]C[6])(S[5]C[5])2{1|O<1>,2|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(C[5]S[5]2){1|H<1>,6|C<3>}	S[5](C[5]C[6]S[5])(C[5]C[5]S){1|S<2>,2|C<3>}	123.4430	2.616	2	123.4430	6.845	2	123.4430	6.845	2	122.0628	6.831	5	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:2:	3:3:3:	3:3:	C[6]-3:S[5]-2:S[5]-2:	C[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]2)(S[5]C[5])(S[5]S[5])	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H)	S[5](C[5]C[6]S[5])2	C[5](C[6]C[6]2)(S[5]C[5])(S[5]S[5]){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	S[5](C[5]C[6]S[5])2{4|C<3>}	118.5100	0.000	1	118.5100	0.000	1	118.5100	0.000	1	122.0628	6.831	5	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:2:	3:3:3:	3:4:	C[6]-3:S[5]-2:S[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]O[6]O)	S[5](C[5]C[6]S[5])(C[5]C[5]HH)	C[5](C[6]C[6]2)(S[5]C[5])2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]O[6]O){1|H<1>,3|C<4>}	S[5](C[5]C[6]S[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	123.0025	3.025	4	123.0025	9.152	4	122.8658	4.222	8	122.8609	2.853	12	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:2:	3:3:3:	3:4:	C[6]-3:S[5]-2:S[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	S[5](C[5]C[6]S[5])(C[5]C[5]HH)	C[5](C[6]C[6]2)(S[5]C[5])2{1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	S[5](C[5]C[6]S[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	122.3955	1.211	2	122.7290	0.649	4	122.8658	4.222	8	122.8609	2.853	12	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:2:	3:3:3:	3:4:	C[6]-3:S[5]-2:S[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	S[5](C[5]C[6]S[5])(C[5]C[5]HH)	C[5](C[6]C[6]2)(S[5]C[5])2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){2|H<1>,4|C<4>}	S[5](C[5]C[6]S[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	123.0625	0.187	2	122.7290	0.649	4	122.8658	4.222	8	122.8609	2.853	12	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:2:	3:3:3:	3:4:	C[6]-3:S[5]-2:S[5]-2:	C[6,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6,6]C[6])(S[5]C[5])2	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O)	S[5](C[5]C[6]S[5])(C[5]C[5]HH)	C[5](C[6]C[6,6]C[6])(S[5]C[5])2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	S[5](C[5]C[6]S[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	123.2955	0.678	2	123.2955	0.460	2	123.2955	0.460	2	122.8609	2.853	12	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:2:	3:3:3:	3:4:	C[6]-3:S[5]-2:S[5]-2:	C[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]O)	S[5](C[5]C[6]S[5])(C[5]C[5]HH)	C[5](C[6]C[6]2)(S[5]C[5])2{2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	S[5](C[5]C[6]S[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	122.4070	0.762	2	122.4070	0.581	2	122.4070	0.581	2	122.8609	2.853	12	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:2:	4:3:3:	3:4:	C[6]-3:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[5,6]C[6])(S[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O)	S[5](C[5]C[6]S[5])(C[5]C[5]HH)	C[5](C[6]C[5,6]C[6])(S[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|H<1>,3|C<4>}	S[5](C[5]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	123.1510	1.949	2	123.1510	3.798	2	123.1510	3.798	2	123.1510	3.798	2	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:3:	3:3:3:	3:3:	N[5]-3:S[5]-2:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(S[5]C[5,6a])(C[6]C[6]2)	C[6](C[5]N[5]S[5])(C[6]C[6]Ir)(C[6]C[6]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Ir)(S[5]C[5,6a])(C[6]C[6]2){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(C[6]C[6]Ir)(C[6]C[6]H){1|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ir<6>,1|F<1>,4|C<3>}	126.1000	0.000	1	126.1000	0.000	1	126.1000	0.000	1	126.1000	0.000	1	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:2:3:	3:4:3:	3:3:	N[5]-3:S[5]-2:C[6]-3:	C[5]-3:C[6]-4:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ti)(S[5]C[5,6a])(C[6]C[6]2)	C[6](C[5]N[5]S[5])(C[6]C[6]TiO)(C[6]C[6]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Ti)(S[5]C[5,6a])(C[6]C[6]2){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5]N[5]S[5])(C[6]C[6]TiO)(C[6]C[6]H){2|C<4>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ti<8>,1|C<4>,1|H<1>,3|C<3>}	117.7725	0.170	4	117.7725	0.029	4	117.7725	0.029	4	117.7725	0.029	4	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	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:S[5]-2:	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	S[5](C[5]C[5]C[6])(S[5]N[5])	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>}	S[5](C[5]C[5]C[6])(S[5]N[5]){1|N<3>,2|C<3>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6]-3:S[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]S[5])(C[5]C[5]C[6])	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>}	S[5](C[5]C[6a]S[5])(C[5]C[5]C[6]){5|C<3>}	115.2721	1.163	12	115.2721	1.353	12	116.2898	4.353	16	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6]-3:S[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[5]C[6])(C[5]C[5]S[5])	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>}	S[5](C[5]C[5]C[6])(C[5]C[5]S[5]){1|H<1>,2|C<3>,2|S<2>}	119.3430	0.481	4	119.3430	0.231	4	116.2898	4.353	16	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:C[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	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)	S[5](C[5]C[5]C[6])(C[5]C[5]S[5])	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>}	S[5](C[5]C[5]C[6])(C[5]C[5]S[5]){1|C<3>,1|N<3>,3|S<2>}	113.2240	0.000	1	113.2240	0.000	1	113.2240	0.000	1	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Cd)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(S[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,4|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]H){1|Cd<6>,1|N<3>,2|C<3>}	124.9645	0.047	2	124.9645	0.002	2	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,4|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]H){1|Co<5>,1|N<3>,2|C<3>}	124.5640	1.010	2	124.5786	0.601	7	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,4|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]H){1|Co<6>,1|N<3>,2|C<3>}	124.7990	1.171	2	124.5786	0.601	7	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]H){1|Co<6>,1|N<3>,2|C<3>}	124.4413	0.729	3	124.5786	0.601	7	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5]){2|C<3>,3|H<1>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){5|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	128.1558	0.544	6	126.3011	3.407	14	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,4|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]H){1|Cu<4>,1|N<3>,2|C<3>}	124.9100	0.977	8	126.3011	3.407	14	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(S[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,4|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]H){1|Fe<6>,1|N<3>,2|C<3>}	125.8653	0.905	4	125.8653	0.819	4	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Mn)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(S[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,3|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]2){1|Mn<6>,1|N<3>,2|C<3>,2|C<4>}	123.8850	0.000	1	123.8850	0.000	1	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(S[5]C[5]){2|C<3>,3|H<1>}	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H){5|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	129.6170	0.212	2	129.6170	0.045	2	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5]){2|C<3>,3|H<1>}	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	126.1535	0.499	6	126.1535	0.249	6	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(S[5]C[5]){2|C<3>,3|H<1>}	C[6](C[5]N[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]H){1|Ru<5>,1|C<3>,1|H<1>,1|N<3>}	125.8783	0.661	3	125.8783	0.438	3	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(S[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,4|C<3>}	S[5](C[5]C[6]N[5])(C[5]C[5]H){1|Zn<6>,1|N<3>,2|C<3>}	125.2760	1.126	2	125.2760	1.267	2	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(S[5]C[5]){1|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	126.5297	0.499	3	126.5297	0.249	3	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(S[5]C[5]){1|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Cu<6>,1|N<2>,1|N<3>,2|C<3>}	127.5820	0.000	1	127.5820	0.000	1	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H)	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(S[5]C[5]){1|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	127.0641	1.253	7	127.0641	1.569	7	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Ni)(C[6]C[6]H)	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(S[5]C[5]){1|H<1>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Ni<6>,1|N<2>,1|N<3>,2|C<3>}	126.7783	0.533	3	126.7783	0.284	3	126.1607	2.323	55	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	123.4910	0.130	2	123.4910	0.017	2	124.0247	0.402	10	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](C[5]N[5]S[5])(N[6]C[6]Ir)(C[6]C[6]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	123.4290	0.000	1	123.4290	0.000	1	124.0247	0.402	10	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](C[5]N[5]S[5])(N[6]C[6]Mn)(C[6]C[6]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	124.5145	0.343	2	124.5145	0.118	2	124.0247	0.402	10	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Pt<6>,1|H<1>,1|N<3>,3|C<3>}	123.6190	0.000	1	123.6190	0.000	1	124.0247	0.402	10	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	124.2970	0.734	4	124.2970	0.538	4	124.0247	0.402	10	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:S[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](N[6]C[6,6a]Zn)(C[5]N[5]S[5])(C[6]C[6]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Zn)(C[5]N[5]S[5])(C[6]C[6]H){1|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	123.6390	0.000	1	123.6390	0.000	1	123.6390	0.000	1	123.8143	18.484	83	123.0697	12.777	142	123.4554	9.245	255
818	762	891	0:SP2_SP2_SP2	C[5]	C[6]	S[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	S[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	S[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.8433	0.366	3	121.8433	0.134	3	121.8433	0.134	3	121.8433	0.134	3	123.0697	12.777	142	123.4554	9.245	255
818	762	894	0:SP2_SP2_SPD6	C[5,6]	C[6]	P[5]	3:6:3:	3:3:1:	3:3:1:1:1:1:	N[5,6]-3:P[5]-6:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:F-1:F-1:F-1:F-1:	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6]F4)(C[6]C[6]H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	P[5](C[5,6]N[5,6]C[6])(N[5,6]C[5,6]C[6])(F)4	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6]F4)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|F<1>}	P[5](C[5,6]N[5,6]C[6])(N[5,6]C[5,6]C[6])(F)4{2|H<1>,4|C<3>}	126.1970	0.000	1	126.1970	0.000	1	126.1970	0.000	1	126.1970	0.000	1	126.1970	0.000	1	126.1970	0.000	1
818	762	955	0:SP2_SP2_SP3	C[5,6]	C[6,6]	P[5]	3:4:3:	3:4:4:	3:3:3:3:	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:C[6a]-3:C[6a]-3:N[5]-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)	P[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)2(N[5]B[5]O)	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>}	P[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)2(N[5]B[5]O){6|C<4>,7|C<3>}	127.1600	0.000	1	127.1600	0.000	1	127.1600	0.000	1	127.1600	0.000	1	127.1600	0.000	1	124.7859	4.842	20
818	762	955	0:SP2_SP2_SP3	C[5,6]	C[6]	P[5]	3:4:3:	3:3:1:	6:3:4:4:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	Nb[5,5]-6:C[5,6]-3:C-4:C-4:	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)	P[5](Nb[5,5]N[5,5]P[5]Cl3)(C[5,6]C[5,6]C[6])(CCCH)2	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>}	P[5](Nb[5,5]N[5,5]P[5]Cl3)(C[5,6]C[5,6]C[6])(CCCH)2{1|H<1>,2|C<4>,4|C<3>}	125.4980	0.000	1	125.4980	0.000	1	125.4980	0.000	1	125.4980	0.000	1	127.0286	2.179	7	124.7859	4.842	20
818	762	955	0:SP2_SP2_SP3	C[5,6]	C[6]	P[5]	3:4:3:	3:3:1:	7:3:4:4:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	Nb[5,5]-7:C[5,6]-3:C-4:C-4:	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)	P[5](Nb[5,5]N[5,5]P[5]Cl4)(C[5,6]C[5,6]C[6])(CCCH)2	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>}	P[5](Nb[5,5]N[5,5]P[5]Cl4)(C[5,6]C[5,6]C[6])(CCCH)2{1|C<2>,1|H<1>,2|C<4>,3|C<3>}	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	127.0286	2.179	7	124.7859	4.842	20
818	762	955	0:SP2_SP2_SP3	C[5,6]	C[6]	P[5]	3:4:3:	3:3:4:	3:3:4:1:	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:C-4:S-1:	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)	P[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(S)	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>}	P[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(S){1|C<3>,1|P<2>,2|C<4>}	125.8860	0.000	1	125.8860	0.000	1	125.8860	0.000	1	125.8860	0.000	1	127.0286	2.179	7	124.7859	4.842	20
818	762	955	0:SP2_SP2_SP3	C[5,6]	C[6]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	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[6a]-3:O-1:	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)	P[5](C[5,6]C[5,6]C[6])2(C[6a]C[6a]2)(O)	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>}	P[5](C[5,6]C[5,6]C[6])2(C[6a]C[6a]2)(O){2|N<3>,4|C<3>,4|H<1>}	128.2985	1.138	2	128.2985	1.294	2	128.2985	1.294	2	128.2985	1.294	2	127.0286	2.179	7	124.7859	4.842	20
818	762	955	0:SP2_SP2_SP3	C[5,6]	C[6]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	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[6a]-3:C-4:	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)	P[5](C[5,6]C[5,6]C[6])2(C[6a]C[6a]2)(CH3)	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>}	P[5](C[5,6]C[5,6]C[6])2(C[6a]C[6a]2)(CH3){2|N<3>,4|C<3>,4|H<1>}	127.9005	0.890	2	127.9005	0.793	2	127.9005	0.793	2	127.9005	0.793	2	127.0286	2.179	7	124.7859	4.842	20
818	762	955	0:SP2_SP2_SP3	C[5]	C[6]	P[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6]-3:P[5]-4:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:C[6a]-3:S-3:	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)	P[5](C[5]C[5,6]C[6])2(C[6a]C[6a]2)(SCu2)	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>}	P[5](C[5]C[5,6]C[6])2(C[6a]C[6a]2)(SCu2){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	123.2797	0.994	12	123.2797	0.987	12	123.2797	0.987	12	123.2797	0.987	12	123.2797	0.987	12	124.7859	4.842	20
818	762	955	6:SP2_SP2_SP3	C[5,6]	C[6]	P[5,6]	4:3:3:	3:3:1:	3:3:3:1:	P[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:O-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)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O)	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>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O){4|H<1>,5|C<3>}	117.7230	0.000	1	117.7230	0.000	1	117.7230	0.000	1	118.1480	0.150	3	118.1480	0.150	3	118.1480	0.150	3
818	762	955	6:SP2_SP2_SP3	C[5,6]	C[6]	P[5,6]	4:3:3:	3:3:1:	3:3:3:1:	P[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:S-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)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(S)	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>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(S){4|H<1>,5|C<3>}	118.2400	0.000	1	118.2400	0.000	1	118.2400	0.000	1	118.1480	0.150	3	118.1480	0.150	3	118.1480	0.150	3
818	762	955	6:SP2_SP2_SP3	C[5,6]	C[6]	P[5,6]	4:3:3:	3:3:1:	3:3:3:1:	P[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:Se-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)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(Se)	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>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(Se){4|H<1>,5|C<3>}	118.4810	0.000	1	118.4810	0.000	1	118.4810	0.000	1	118.1480	0.150	3	118.1480	0.150	3	118.1480	0.150	3
818	762	959	0:SP2_SP2_SP3	C[5,6]	C[6]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	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-1:O-1:	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)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)2	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>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)2{1|H<1>,1|O<2>,4|C<3>}	129.5010	0.000	1	129.5010	0.000	1	128.8225	0.921	2	128.8225	0.921	2	128.8225	0.921	2	128.8225	0.921	2
818	762	959	0:SP2_SP2_SP3	C[5,6]	C[6]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	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-1:O-1:	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)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)2	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>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)2{1|H<1>,1|O<2>,4|C<3>}	128.1440	0.000	1	128.1440	0.000	1	128.8225	0.921	2	128.8225	0.921	2	128.8225	0.921	2	128.8225	0.921	2
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6,6]	N[5]	3:3:2:	3:3:3:	3:3:	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[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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	126.4250	0.000	1	126.4250	0.000	1	126.4250	0.000	1	126.4250	0.000	1	126.4250	0.000	1	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:2:3:	3:3:1:	3:3:	N[5,6]-3:N[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6]C[6])(N[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	N[5](C[5,6]C[5,6]C[6])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(N[5]C[5,6])(C[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5,6]N[5,6]C[6]){1|H<1>,2|C<2>,2|C<3>,2|C<4>}	128.8400	0.000	1	128.8400	0.000	1	128.8400	0.000	1	123.0190	67.768	2	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:2:3:	3:3:1:	3:3:	N[5,6]-3:N[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:	C[5,6](N[5,6]In[5,5]C[6])(N[5]N[5,5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	N[5](N[5,5]C[5,6a]In[5,5])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]In[5,5]C[6])(N[5]N[5,5])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|N<3>}	N[5](N[5,5]C[5,6a]In[5,5])(C[5,6]N[5,6]C[6]){3|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	117.1980	0.000	1	117.1980	0.000	1	117.1980	0.000	1	123.0190	67.768	2	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:2:3:	3:3:1:	4:3:	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[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)	N[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6])	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>}	N[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	125.7090	0.000	1	125.7090	0.000	1	125.7090	0.000	1	125.7090	0.000	1	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:2:3:	3:3:2:	3:3:	C[5,6]-3:N[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:O-2:	C[5,6]-3:C[5,6]-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)	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6])	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>}	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]){1|O<2>,3|C<3>,3|C<4>}	125.9350	0.000	1	125.9350	0.000	1	125.9350	0.000	1	125.9350	0.000	1	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:2:1:	3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:N[6]-2:O-1:	C[5,6]-3:Se[5]-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)	N[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	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>}	N[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|O<1>,2|N<2>}	123.7680	0.000	1	123.7680	0.000	1	123.7680	0.000	1	123.7680	0.000	1	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:2:1:	3:3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-2:H-1:	C[5,6]-3:C[5]-3:	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)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)	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>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C){1|C<2>,1|C<3>,1|H<1>}	132.5700	0.000	1	132.5700	0.000	1	132.5700	0.000	1	133.6340	2.264	2	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:2:1:	3:3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:N[6]-2:Cl-1:	C[5,6]-3:C[5]-3:	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)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)	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>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H){1|Cl<1>,1|N<2>,1|N<3>}	134.6980	0.000	1	134.6980	0.000	1	134.6980	0.000	1	133.6340	2.264	2	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:2:3:	3:3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:N[6]-2:N-3:	C[5,6]-3:C[5]-3:	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)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Br)	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>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Br){1|N<2>,2|N<3>}	131.3930	0.000	1	131.3930	0.000	1	131.3930	0.000	1	131.3930	0.000	1	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	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: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)	N[5](C[5,6]C[5,6]C[6])(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>}	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]){1|O<1>,2|C<3>}	127.1585	0.936	2	127.1585	0.875	2	127.1585	0.875	2	120.7012	10.066	25	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	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: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)	N[5](C[5,6]C[5,6]C[6])(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>}	N[5](C[5,6]C[5,6]C[6])(S[5]S[5]){1|O<1>,2|C<3>}	118.9105	0.385	2	119.1227	0.499	19	119.1227	0.499	19	120.7012	10.066	25	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	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: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)	N[5](C[5,6]C[5,6]C[6])(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>}	N[5](C[5,6]C[5,6]C[6])(S[5]S[5]){1|O<1>,2|C<3>}	119.3385	0.375	2	119.1227	0.499	19	119.1227	0.499	19	120.7012	10.066	25	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	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: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)	N[5](C[5,6]C[5,6]C[6])(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>}	N[5](C[5,6]C[5,6]C[6])(S[5]S[5]){1|O<1>,2|C<3>}	119.7265	0.224	2	119.1227	0.499	19	119.1227	0.499	19	120.7012	10.066	25	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	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: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)	N[5](C[5,6]C[5,6]C[6])(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>}	N[5](C[5,6]C[5,6]C[6])(S[5]S[5]){1|O<1>,2|C<3>}	118.8829	0.894	7	119.1227	0.499	19	119.1227	0.499	19	120.7012	10.066	25	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	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: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)	N[5](C[5,6]C[5,6]C[6])(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>}	N[5](C[5,6]C[5,6]C[6])(S[5]S[5]){1|O<1>,2|C<3>}	119.8355	0.678	2	119.1227	0.499	19	119.1227	0.499	19	120.7012	10.066	25	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	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: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)	N[5](C[5,6]C[5,6]C[6])(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>}	N[5](C[5,6]C[5,6]C[6])(S[5]S[5]){1|O<1>,2|C<3>}	119.2445	0.538	2	119.1227	0.499	19	119.1227	0.499	19	120.7012	10.066	25	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	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: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)	N[5](C[5,6]C[5,6]C[6])(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>}	N[5](C[5,6]C[5,6]C[6])(S[5]S[5]){1|O<1>,2|C<3>}	118.5205	0.095	2	119.1227	0.499	19	119.1227	0.499	19	120.7012	10.066	25	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	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:O[5]-2:	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)	N[5](C[5,6]C[5,6]C[6])(O[5]C[5])	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>}	N[5](C[5,6]C[5,6]C[6])(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.6910	0.000	1	125.6910	0.000	1	125.6910	0.000	1	120.7012	10.066	25	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	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: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)	N[5](C[5,6]C[5,6]C[6])(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>}	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]){1|O<1>,2|C<3>}	126.8655	0.226	2	126.8655	0.051	2	126.8655	0.051	2	120.7012	10.066	25	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	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: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)	N[5](C[5,6]C[5,6]C[6])(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>}	N[5](C[5,6]C[5,6]C[6])(S[5]S[5]){1|O<1>,2|C<3>}	120.4600	0.000	1	120.4600	0.000	1	120.4600	0.000	1	120.7012	10.066	25	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	3:3:	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]-3:	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)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)	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>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C){1|H<1>,2|C<3>}	131.8920	0.000	1	131.8920	0.000	1	126.3115	13.868	4	127.5615	8.410	8	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	3:3:	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]-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)	N[5](C[5,6]C[5,6]C[6])(C[5]P[5]C)	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>}	N[5](C[5,6]C[5,6]C[6])(C[5]P[5]C){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	124.6380	0.000	1	124.4513	0.040	3	126.3115	13.868	4	127.5615	8.410	8	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	3:3:	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]-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)	N[5](C[5,6]C[5,6]C[6])(C[5]P[5]C)	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>}	N[5](C[5,6]C[5,6]C[6])(C[5]P[5]C){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	124.3580	0.167	2	124.4513	0.040	3	126.3115	13.868	4	127.5615	8.410	8	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	3:3:	N[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:Cl-1:	C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl)	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	128.3300	0.000	1	128.3300	0.000	1	128.3300	0.000	1	127.5615	8.410	8	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	3:3:	N[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]N)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]N){1|C<4>,1|H<1>,3|C<3>}	127.6790	0.000	1	127.6790	0.000	1	127.6790	0.000	1	127.5615	8.410	8	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	3:3:	N[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|N<3>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	128.6310	0.000	1	128.6310	0.000	1	129.6185	1.950	2	127.5615	8.410	8	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	3:3:	N[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5]){1|Fe<6>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe){1|H<1>,3|C<3>}	130.6060	0.000	1	130.6060	0.000	1	129.6185	1.950	2	127.5615	8.410	8	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	3:4:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:C[5]-4:	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)	N[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)	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>}	N[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC){1|C<3>,1|N<3>,1|O<1>}	125.4960	0.000	1	125.4960	0.000	1	125.4960	0.000	1	126.4678	1.431	6	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	3:4:	N[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[5,6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[5,6]H)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]){1|Fe<10>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[5,6]H)(H){1|Fe<10>,4|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	125.8450	0.632	3	125.8450	0.399	3	126.6622	1.505	5	126.4678	1.431	6	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:1:	3:4:	N[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[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(N[5]C[5]){1|C<3>,1|N<2>,5|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H){2|C<3>,2|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){2|C<3>,3|H<1>}	127.8880	0.464	2	127.8880	0.215	2	126.6622	1.505	5	126.4678	1.431	6	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	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[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)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)	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>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]H){4|C<3>}	126.5140	0.000	1	126.5140	0.000	1	126.5140	0.000	1	126.5140	0.000	1	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:3:	3:4:	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[5]-4:	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)	N[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)	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>}	N[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC){3|C<3>}	128.1050	0.000	1	128.1050	0.000	1	128.1050	0.000	1	128.1110	0.000	2	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:3:2:	3:3:3:	3:4:	N[5,6]-3:C[6]-3:N[5]-2:	C[6,6a]-3:C[5,6]-3:C-3:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(N[5]C[5])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]N[5])(CC[6a]O)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(N[5]C[5]){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]N[5])(CC[6a]O){2|C<4>,4|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){2|H<1>,3|C<3>}	128.1170	0.000	1	128.1170	0.000	1	128.1170	0.000	1	128.1110	0.000	2	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:4:2:	3:3:3:	3:3:	C[6]-3:C[5,6]-4:N[5]-2:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6]-3:C[5]-3:	C[5,6](C[6]C[6,6a]C[5a])(C[5,6]C[5]O[6]H)(N[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)	C[5,6](C[6]C[6,6a]C[5a])(C[5,6]C[5]O[6]H)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	129.1895	0.177	2	129.1895	0.032	2	129.1895	0.032	2	129.7183	0.855	3	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	3:4:2:	3:3:3:	3:3:	C[6]-3:C[5,6]-4:N[5]-2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]N)	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]N){1|H<1>,2|C<3>,2|C<4>}	130.7760	0.000	1	130.7760	0.000	1	130.7760	0.000	1	129.7183	0.855	3	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	4:2:3:	3:3:4:	3:3:	C[5,6]-4:N[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|H<1>,3|C<3>,3|C<4>}	124.6230	0.724	4	124.6230	0.525	4	124.6230	0.525	4	124.6230	0.525	4	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	4:2:3:	3:4:2:	3:3:	C[5,6]-4:N[5]-2:C[6]-3:	C[5,6]-3:C[6]-4:C-2:	C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6]N[5,6]C[6]C)(N[5]C[5,6])(C[6]C[6]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(CN)	N[5](C[5,6]C[5,6]C[6])(C[5,6]N[5,6]C[6])	C[5,6](C[5,6]N[5,6]C[6]C)(N[5]C[5,6])(C[6]C[6]C){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5,6]N[5,6]C[6]){1|H<1>,2|C<2>,2|C<3>,2|C<4>}	128.7530	0.000	1	128.7530	0.000	1	128.7530	0.000	1	128.7530	0.000	1	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	4:2:3:	3:4:3:	3:3:	C[5,5,6]-4:N[5]-2:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[5,6]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6])(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6])(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){2|C<3>,4|C<4>}	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]){1|O<2>,3|C<3>,3|C<4>}	127.9060	0.000	1	127.9060	0.000	1	127.9060	0.000	1	128.5700	0.882	2	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	4:2:3:	3:4:3:	3:3:	C[5,5,6]-4:N[5]-2:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){2|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6]){1|H<1>,3|C<3>,3|C<4>}	129.2340	0.000	1	129.2340	0.000	1	129.2340	0.000	1	128.5700	0.882	2	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6]-3:N[5]-2:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[6]C[6,6a]C[5a])(N[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[6]C[6,6a]C[5a])(N[5]C[5]){1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	128.5730	0.000	1	128.5730	0.000	1	128.5730	0.000	1	128.5730	0.000	1	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	4:3:2:	3:3:4:	3:3:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]2){1|N<2>,2|C<4>,4|C<3>}	122.9250	0.000	1	122.9250	0.000	1	122.9250	0.000	1	122.9250	0.000	1	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	4:3:2:	3:3:4:	3:4:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:P[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CC3)	N[5](C[5,6]C[5,6]C[6])(P[5]O[5]ClO)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5]){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,1|P<4>,2|C<4>}	N[5](C[5,6]C[5,6]C[6])(P[5]O[5]ClO){2|C<3>,2|C<4>}	124.1960	0.000	1	124.1960	0.000	1	124.1960	0.000	1	124.1960	0.000	1	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	4:3:2:	3:4:1:	3:3:	C[5,5,6]-4:C[6]-3:N[5]-2:	C[5,6]-3:C[6,6]-4:O-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]O)(N[5]C[5,6a])	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]O)(N[5]C[5,6a]){2|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	4:3:2:	3:4:3:	3:3:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5]){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H){1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	124.3450	0.798	2	124.3450	0.636	2	124.1597	0.421	3	124.1597	0.421	3	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5,6]	C[6]	N[5]	4:3:2:	3:4:3:	3:3:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H)	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]N[5]){1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<3>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	123.7890	0.000	1	123.7890	0.000	1	124.1597	0.421	3	124.1597	0.421	3	124.5210	19.029	67	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	2:2:3:	3:3:3:	3:3:	N[5]-2:N[5]-2:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a])2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a])2(C[6]C[6]2){1|C<4>,1|O<2>,4|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|H<1>,4|C<3>}	124.7070	6.494	2	124.7070	42.173	2	123.7700	15.644	4	123.7700	15.644	4	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	2:2:3:	3:3:3:	3:3:	N[5]-2:N[5]-2:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a])2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a])2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|H<1>,4|C<3>}	122.8330	1.117	2	122.8330	1.248	2	123.7700	15.644	4	123.7700	15.644	4	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:2:2:	3:3:3:	3:2:	C[6]-3:N[5]-2:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-2:	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5])	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[6]N[5])(N[5]C[5]){3|C<3>}	121.9220	0.000	1	121.9220	0.000	1	124.0565	1.027	50	124.0146	1.153	52	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:2:2:	3:3:3:	3:2:	C[6]-3:N[5]-2:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-2:	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2	N[5](C[5]C[6]N[5])(N[5]C[5])	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]){3|C<3>}	121.2010	0.167	3	121.2010	0.028	3	124.0565	1.027	50	124.0146	1.153	52	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:2:2:	3:3:3:	3:2:	C[6]-3:N[5]-2:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-2:	C[5](C[6]C[6]2)(N[5]N[5])2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5])	C[5](C[6]C[6]2)(N[5]N[5])2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|H<1>,2|N<2>}	N[5](C[5]C[6]N[5])(N[5]N[5]){2|C<3>}	124.1601	0.452	8	124.1990	0.354	10	124.0565	1.027	50	124.0146	1.153	52	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:2:2:	3:3:3:	3:2:	C[6]-3:N[5]-2:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-2:	C[5](C[6]C[6]2)(N[5]N[5])2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5])	C[5](C[6]C[6]2)(N[5]N[5])2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,2|N<2>}	N[5](C[5]C[6]N[5])(N[5]N[5]){2|C<3>}	124.3545	1.302	2	124.1990	0.354	10	124.0565	1.027	50	124.0146	1.153	52	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:2:2:	3:3:3:	3:2:	C[6]-3:N[5]-2:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-2:	C[5](C[6]C[6]2)(N[5]N[5])2	C[6](C[5]N[5]2)(C[6]C[6]H)2	N[5](C[5]C[6]N[5])(N[5]N[5])	C[5](C[6]C[6]2)(N[5]N[5])2{2|C<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	N[5](C[5]C[6]N[5])(N[5]N[5]){2|C<3>}	124.3142	0.665	36	124.3142	0.442	36	124.0565	1.027	50	124.0146	1.153	52	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:2:2:	3:3:3:	3:2:	C[6]-3:N[5]-2:N[5]-2:	C[5]-3:C[6]-3:N[6]-3:	C[5]-3:N[5]-2:	C[5](C[6]C[6]N[6])(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5])	C[5](C[6]C[6]N[6])(N[5]C[5])(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]){1|N<3>,2|C<3>}	122.9670	2.493	2	122.9670	6.216	2	122.9670	6.216	2	124.0146	1.153	52	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:2:2:	3:3:3:	3:3:	C[6]-3:N[5]-2:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){4|C<3>}	124.0680	0.000	1	124.0680	0.000	1	124.9305	0.335	4	124.1660	3.412	6	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:2:2:	3:3:3:	3:3:	C[6]-3:N[5]-2:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){4|C<3>}	125.2180	0.084	3	125.2180	0.007	3	124.9305	0.335	4	124.1660	3.412	6	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:2:2:	3:3:3:	3:3:	C[6]-3:N[5]-2:N[5]-2:	C[5]-3:C[6]-3:N[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H)	N[5](C[5]C[5a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]C[5])(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,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>}	122.6370	3.007	2	122.6370	9.040	2	122.6370	9.040	2	124.1660	3.412	6	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:2:2:	4:3:3:	3:3:	C[6]-3:N[5]-2:N[5]-2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[5,6]C[6])(N[5]C[5])2	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])	C[5](C[6]C[5,6]C[6])(N[5]C[5])2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H){1|H<1>,8|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5]){1|C<4>,4|C<3>}	123.4030	1.431	2	123.4030	2.048	2	123.4030	2.048	2	123.4030	2.048	2	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:2:2:	3:2:	C[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[6]-2:C[6]-2:	C[5]-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	N[5](C[5]C[5]C[6])(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>}	N[5](C[5]C[5]C[6])(N[5]N[5]){1|C<3>,2|C<2>}	120.1922	0.496	6	120.1922	0.246	6	120.1922	0.246	6	120.1922	0.246	6	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:2:	3:2:	N[5]-3:C[6]-3:N[5]-2:	N[6]-3:C[5]-3:N[6]-2:	C[5]-3:N[5]-2:	C[5](N[5]N[5]Pd)(C[6]N[6]2)(N[5]N[5])	C[6](N[6]C[6]Pd)(C[5]N[5]2)(N[6]C[6])	N[5](C[5]C[6]N[5])(N[5]N[5])	C[5](N[5]N[5]Pd)(C[6]N[6]2)(N[5]N[5]){1|Pd<4>,2|C<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(N[6]C[6]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]N[5]){2|Pd<4>,1|N<2>,1|N<3>}	131.0460	0.000	1	131.0460	0.000	1	131.0460	0.000	1	131.0460	0.000	1	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:2:	3:3:	C[6]-3:C[5]-3:N[5]-2:	C[5]-3:C[6]-3:O[6]-2:	C[5]-3:C[5]-3:	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])	N[5](C[5]C[5]C[6])(C[5]C[5]H)	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>}	N[5](C[5]C[5]C[6])(C[5]C[5]H){1|C<3>,1|O<2>,2|F<1>}	122.8225	0.425	2	122.8225	0.181	2	122.8225	0.181	2	123.1142	1.501	4	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:2:	3:3:	C[6]-3:N[5]-3:N[5]-2:	C[5]-3:C[6]-3:N[6]-2:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]N)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6])	N[5](C[5]C[6]N[5])(N[5]C[5]Mn)	C[5](C[6]C[6]N[6])(N[5]C[5]N)(N[5]N[5]){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	N[5](C[5]C[6]N[5])(N[5]C[5]Mn){1|N<2>,1|N<3>,2|C<3>}	121.9950	0.000	1	121.9950	0.000	1	121.9950	0.000	1	123.1142	1.501	4	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:2:	3:3:	N[5]-3:C[6]-3:N[5]-2:	N[6]-3:C[5]-3:N[6]-2:	C[5]-3:N[5]-3:	C[5](N[5]C[5]Cu)(C[6]N[6]2)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(N[6]C[6])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](N[5]C[5]Cu)(C[6]N[6]2)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(N[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cu<4>,1|C<4>,1|N<2>,1|N<3>}	124.8170	0.000	1	124.8170	0.000	1	124.8170	0.000	1	123.1142	1.501	4	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:2:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-2:	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]N[5])	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]N[5]){1|Ni<6>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]N[5]){2|Ni<6>,1|C<3>,1|N<3>}	128.0565	0.503	2	128.0565	0.253	2	128.1145	0.153	4	124.6201	14.629	8	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:2:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-2:	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]N[5])	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]N[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]N[5]){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]){2|Ni<6>,1|C<3>,1|N<3>}	128.4840	0.000	1	128.4840	0.000	1	128.1145	0.153	4	124.6201	14.629	8	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:2:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-2:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]N[5])	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]N[5]){1|Zn<6>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]N[5]){2|Zn<6>,1|C<3>,1|N<3>}	127.8610	0.000	1	127.8610	0.000	1	128.1145	0.153	4	124.6201	14.629	8	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:2:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:S[5]-2:	C[5](C[6]C[6]N[6])(N[5]S[5]Co)(N[5]S[5])	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(S[5]S[5])	C[5](C[6]C[6]N[6])(N[5]S[5]Co)(N[5]S[5]){1|H<1>,2|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|H<1>,2|S<2>}	N[5](C[5]C[6]N[5])(S[5]S[5]){1|Co<6>,1|C<3>,1|N<3>}	120.4040	0.000	1	120.4040	0.000	1	120.5407	0.076	3	124.6201	14.629	8	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:2:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:S[5]-2:	C[5](C[6]C[6]N[6])(N[5]S[5]Mn)(N[5]S[5])	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(S[5]S[5])	C[5](C[6]C[6]N[6])(N[5]S[5]Mn)(N[5]S[5]){1|H<1>,2|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>,2|S<2>}	N[5](C[5]C[6]N[5])(S[5]S[5]){1|Mn<6>,1|C<3>,1|N<3>}	120.3600	0.000	1	120.3600	0.000	1	120.5407	0.076	3	124.6201	14.629	8	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:2:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:S[5]-2:	C[5](C[6]C[6]N[6])(N[5]S[5]Ni)(N[5]S[5])	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(S[5]S[5])	C[5](C[6]C[6]N[6])(N[5]S[5]Ni)(N[5]S[5]){1|H<1>,2|C<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|H<1>,2|S<2>}	N[5](C[5]C[6]N[5])(S[5]S[5]){1|Ni<6>,1|C<3>,1|N<3>}	120.8580	0.000	1	120.8580	0.000	1	120.5407	0.076	3	124.6201	14.629	8	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:2:	N[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:O[5]-2:	C[5](N[5]C[5,6]C[6a])(C[6]C[6]2)(N[5]O[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2	N[5](C[5]C[6]N[5])(O[5]C[5,6])	C[5](N[5]C[5,6]C[6a])(C[6]C[6]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[6]N[5])(O[5]C[5,6]){1|C<4>,4|C<3>}	122.8810	0.000	1	122.8810	0.000	1	122.8810	0.000	1	124.6201	14.629	8	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:	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)	N[5](C[5]C[5]C[6])(C[5]C[5]C)	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>}	N[5](C[5]C[5]C[6])(C[5]C[5]C){2|C<3>,2|H<1>}	123.0540	0.000	1	123.0540	0.000	1	122.6235	0.371	2	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:	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	N[5](C[5]C[6a]N[5])(C[5]C[5]C[6])	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>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C[6]){5|C<3>}	122.1930	0.000	1	122.1930	0.000	1	122.6235	0.371	2	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:C[5]-3:N[5]-2:	C[5]-3:C[6]-3:N[6]-3:	C[5]-3:N[5]-3:	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)	N[5](C[5]C[5]C[6])(N[5]N[5]Ir)	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>}	N[5](C[5]C[5]C[6])(N[5]N[5]Ir){1|H<1>,1|N<3>,2|C<3>}	122.5550	0.000	1	122.5550	0.000	1	128.5285	71.365	2	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:C[5]-3:N[5]-2:	C[5]-3:C[6]-3:N[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5])	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C)	N[5](C[5]C[5]C[6])(N[5]N[5]Ir)	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]){1|Ir<8>,1|C<4>,3|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C){1|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[5]C[6])(N[5]N[5]Ir){1|Ir<8>,1|N<3>,2|C<3>}	134.5020	0.000	1	134.5020	0.000	1	128.5285	71.365	2	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	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[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)	N[5](C[5]C[5]C[6])(C[5]C[5]C)	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>}	N[5](C[5]C[5]C[6])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	121.8800	0.000	1	121.8800	0.000	1	123.5890	12.097	3	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,3|N<3>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	121.2960	0.000	1	121.2960	0.000	1	123.5890	12.097	3	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]2)(N[5]N[5]H)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2	N[5](C[5]C[6]N[5])(N[5]N[5]Co)	C[5](C[6]C[6]2)(N[5]N[5]H)(N[5]N[5]){1|Co<6>,2|C<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<2>,3|N<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]Co){1|H<1>,2|C<3>}	127.5910	0.000	1	127.5910	0.000	1	123.5890	12.097	3	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5])	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[5a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]){1|Co<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	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>}	130.1180	0.000	1	130.1180	0.000	1	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5])	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(C[5]N[5]S)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]){1|Co<6>,1|H<1>,1|S<2>,2|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[5]N[5]S){2|Co<6>,1|C<3>,1|N<3>}	125.3460	0.000	1	125.3460	0.000	1	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5])	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]){2|H<1>,3|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Co<6>,1|H<1>,1|N<3>,3|C<3>}	132.9087	0.734	3	132.9087	0.538	3	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(C[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[5]N[5]C){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	125.3410	0.000	1	127.6803	4.461	3	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(C[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]){1|Cu<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[5]N[5]C){2|Cu<5>,1|C<3>,1|N<3>}	128.8500	0.844	2	127.6803	4.461	3	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])2	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]){1|Cu<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])2{1|Cu<4>,1|Cu<6>,2|C<3>,2|N<3>}	126.6310	0.000	1	126.7900	0.051	2	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])2	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]){1|Cu<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])2{1|Cu<4>,1|Cu<6>,2|C<3>,2|N<3>}	126.9490	0.000	1	126.7900	0.051	2	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5])	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])2	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5]){1|Fe<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])2{2|Fe<6>,2|C<3>,2|N<3>}	129.5885	0.016	2	129.5885	0.000	2	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]C[5])	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(C[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[5]N[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	127.2750	0.000	1	127.2750	0.000	1	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5])	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[5a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	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>}	128.0880	0.000	1	128.0880	0.000	1	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5])	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(C[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[5]N[5]H){2|Mn<6>,1|C<3>,1|N<3>}	126.4815	0.452	2	126.4815	0.204	2	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5])	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])2	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])2{2|Mn<6>,2|C<3>,2|N<3>}	126.9795	0.733	6	126.9795	0.537	6	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5])	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Mn<6>,1|Mn<8>,1|N<3>,3|C<3>}	126.6770	0.363	2	126.3620	0.215	4	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5])	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){2|Mn<6>,1|N<3>,3|C<3>}	126.0470	0.341	2	126.3620	0.215	4	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]C[5])	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(C[5]N[5]S)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]C[5]){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[5]N[5]S){2|Ni<6>,1|C<3>,1|N<3>}	126.0700	0.000	1	126.0700	0.000	1	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(N[5]C[5])	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(N[5]C[5]){2|H<1>,3|C<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	127.5475	0.083	2	127.5475	0.007	2	127.8208	4.679	29	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5])	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5]){2|H<1>,3|C<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cd<5>,1|N<3>,2|C<3>}	123.6110	0.000	1	122.7475	1.491	2	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5])	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5]){2|H<1>,3|C<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cd<6>,1|N<3>,2|C<3>}	121.8840	0.000	1	122.7475	1.491	2	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]N[5])	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Co<6>,1|C<3>,1|C<4>,1|N<3>}	126.1264	0.824	5	126.1264	0.680	5	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]Cu)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]){1|Cu<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]Cu){1|Cu<4>,1|N<3>,2|C<3>}	126.4340	0.000	1	126.4340	0.000	1	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	124.5210	0.484	4	127.1077	7.880	10	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,1|N<3>}	128.8322	2.263	6	127.1077	7.880	10	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5])	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	125.7230	0.000	1	125.0455	0.918	2	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5])	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5]){2|H<1>,3|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Fe<6>,1|N<3>,2|C<3>}	124.3680	0.000	1	125.0455	0.918	2	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]N[5])	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>}	125.6495	0.655	2	125.6495	0.430	2	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5])	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5]){2|H<1>,3|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Zn<4>,1|N<3>,2|C<3>}	125.4700	0.888	3	125.0770	1.143	4	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5])	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5]){2|H<1>,3|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Zn<6>,1|N<3>,2|C<3>}	123.8980	0.000	1	125.0770	1.143	4	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5])	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5]Re)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]){1|Re<6>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]Re){1|Cu<4>,1|C<3>,1|N<3>}	127.4670	0.292	3	127.4670	0.085	3	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<4>,1|C<3>,1|N<3>}	127.9142	0.520	4	127.1130	4.079	7	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<5>,1|C<3>,1|N<3>}	129.4730	0.000	1	127.1130	4.079	7	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<6>,1|C<3>,1|N<3>}	124.3305	0.199	2	127.1130	4.079	7	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]N[5])	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Fe<6>,1|C<3>,1|N<3>}	132.2930	0.397	2	132.2930	0.158	2	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5])	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Ir<6>,1|C<3>,1|N<3>}	128.6640	0.000	1	128.6640	0.000	1	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(N[5]N[5])	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Re<6>,1|C<3>,1|N<3>}	130.6970	0.000	1	130.6970	0.000	1	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(N[5]N[5])	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]N[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Ru<6>,1|C<3>,1|N<3>}	130.1380	0.000	1	130.1380	0.000	1	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]N[5])	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Zn<6>,1|C<3>,1|N<3>}	127.6390	0.000	1	127.6390	0.000	1	126.8870	6.198	42	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	N[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])(C[6]C[6]2)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2	N[5](N[5]C[6a]C[5])(C[5]C[6]N[5])	C[5](N[5]C[5]C[6])(C[6]C[6]2)(N[5]N[5]){1|Pt<4>,1|C<2>,2|H<1>,4|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[6]N[5]){1|Pt<4>,5|C<3>}	123.6110	0.000	1	123.6110	0.000	1	123.6110	0.000	1	126.9233	7.905	80	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC){1|Cu<5>,1|C<3>,1|N<3>,1|O<1>}	127.5610	0.000	1	127.5610	0.000	1	127.5610	0.000	1	127.5610	0.000	1	125.3592	8.509	165	125.1228	11.580	233
818	762	960	0:SP2_SP2_SP2	C[5]	C[6]	N[5]	3:3:2:	3:3:4:	3:3:	C[5]-3:C[6]-3:N[5]-2:	C[6]-3:C[5]-3:C[6]-4:	C[5]-3:C[5]-3:	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)	N[5](C[5]C[5a]C[5])(C[5]C[5]C[6])	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>}	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>}	125.5860	0.000	1	125.5860	0.000	1	125.5860	0.000	1	125.5860	0.000	1	125.3592	8.509	165	125.1228	11.580	233
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:2:4:	5:3:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:O[6]-2:C-4:	Ga[5,5]-5:C[5,6]-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)	O[5](Ga[5,5]O[5]S[5]2O)(C[5,6]C[5,6]C[6])	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>}	O[5](Ga[5,5]O[5]S[5]2O)(C[5,6]C[5,6]C[6]){1|C<4>,1|O<2>,3|C<3>}	119.3560	0.660	2	119.3560	0.436	2	119.3560	0.436	2	119.3560	0.436	2	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:2:4:	6:3:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:O[6]-2:C-4:	Ga[3x5]-6:C[5,6]-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)	O[5](Ga[3x5]O[5]2S[5]3)(C[5,6]C[5,6]C[6])	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>}	O[5](Ga[3x5]O[5]2S[5]3)(C[5,6]C[5,6]C[6]){1|C<4>,1|O<2>,5|C<3>}	119.3877	0.441	3	119.3877	0.195	3	119.3877	0.195	3	119.3877	0.195	3	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:3:1:	3:3:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6a]O[6])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H){1|O<2>,2|F<1>,3|C<3>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,2|H<1>,3|C<3>}	123.1520	0.793	6	123.1520	0.628	6	123.1520	0.628	6	123.1520	0.628	6	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:3:1:	4:3:	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[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)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6])	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>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	123.0355	0.875	2	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:3:1:	4:3:	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[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)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6])	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>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6]){1|H<1>,1|N<4>,1|O<1>,2|C<3>,3|C<4>}	123.6970	0.000	1	123.6970	0.000	1	123.6970	0.000	1	123.0355	0.875	2	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:3:1:	5:3:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	Si[5,5]-5:C[5,6]-3:	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){1|N<3>,3|C<3>,5|H<1>}	124.5817	0.218	3	124.4205	0.080	8	124.4205	0.080	8	124.4205	0.080	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:3:1:	5:3:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	Si[5,5]-5:C[5,6]-3:	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|N<3>}	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){1|N<3>,3|C<3>,5|H<1>}	124.4030	0.479	2	124.4205	0.080	8	124.4205	0.080	8	124.4205	0.080	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:3:1:	5:3:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	Si[5,5]-5:C[5,6]-3:	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){1|N<3>,3|C<3>,5|H<1>}	124.2710	0.215	3	124.4205	0.080	8	124.4205	0.080	8	124.4205	0.080	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:3:3:	4:3:	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[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)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])	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>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	124.5020	0.000	1	124.5020	0.000	1	124.5020	0.000	1	124.5020	0.000	1	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:3:3:	5:3:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:N-3:	Si[5,5]-5:C[5,6]-3:	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]N)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(NOO)	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]N){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(NOO){1|Si<5>,1|C<3>,2|C<4>}	O[5](Si[5,5]C[5]2O[5]C)(C[5,6]N[5,6]C[6]){2|N<3>,3|C<3>,4|H<1>}	127.5122	0.658	4	127.5122	0.433	4	127.5122	0.433	4	127.5122	0.433	4	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:4:3:	3:3:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	126.8260	0.000	1	126.8260	0.000	1	126.8260	0.000	1	126.8260	0.000	1	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:2:3:	3:4:4:	5:3:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	In[5,5]-5:C[5,6]-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)	O[5](In[5,5]N[5]2O[5]I)(C[5,6]C[5,6]C[6])	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>}	O[5](In[5,5]N[5]2O[5]I)(C[5,6]C[5,6]C[6]){2|C<4>,5|C<3>}	124.2532	0.654	4	124.2532	0.427	4	124.2532	0.427	4	124.2532	0.427	4	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:3:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5]-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)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)	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>}	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O){1|C<3>,1|O<1>,3|C<4>}	119.4690	0.000	1	119.4690	0.000	1	119.4690	0.000	1	119.7958	6.335	9	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	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[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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	124.4260	0.000	1	124.4260	0.000	1	124.0815	0.237	2	119.7958	6.335	9	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	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[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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	123.7370	0.000	1	123.7370	0.000	1	124.0815	0.237	2	119.7958	6.335	9	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:3:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a])	C[6](C[5,6]N[5,6]O[5])2(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]O[5])2(H){1|Ga<4>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|Ga<4>,2|H<1>,3|C<3>}	118.4217	0.674	6	118.4217	0.454	6	118.4217	0.454	6	119.7958	6.335	9	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:4:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6,6]-3:O-1:	C[5,6]-3:C[5]-4:	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)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)	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>}	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH){1|C<3>,1|O<1>,3|C<4>}	121.4490	0.000	1	121.4490	0.000	1	121.2590	0.072	2	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:4:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6,6]-3:O-1:	C[5,6]-3:C[5]-4:	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)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO)	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>}	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO){1|C<3>,1|O<1>,3|C<4>}	121.0690	0.000	1	121.0690	0.000	1	121.2590	0.072	2	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:4:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:F-1:	C[5,6]-3:C[5]-4:	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)	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC){1|F<1>,2|C<3>}	129.7650	0.000	1	129.7650	0.000	1	129.7650	0.000	1	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:4:	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]-4:	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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){2|C<3>,2|H<1>}	124.5020	0.000	1	124.5020	0.000	1	126.2287	2.570	3	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:4:	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]-4:	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)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH){1|H<1>,2|C<3>}	126.5140	0.000	1	126.5140	0.000	1	126.2287	2.570	3	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:4:	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]-4:	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)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH){1|H<1>,2|C<3>}	127.6700	0.000	1	127.6700	0.000	1	126.2287	2.570	3	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:4:	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[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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	123.1800	0.235	4	123.1800	0.055	4	123.1800	0.055	4	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	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[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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	118.9350	0.000	1	119.5490	0.754	2	119.5490	0.754	2	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	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[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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.1630	0.000	1	119.5490	0.754	2	119.5490	0.754	2	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:4:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]B[5a,6]C[5])(C[6]C[5,6]H)(O[5]C[5])	C[6](C[5,6]N[5,6]O[5])2(H)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]B[5a,6]C[5])(C[6]C[5,6]H)(O[5]C[5]){1|N<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6]N[5,6]O[5])2(H){1|B<4>,4|C<4>}	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	120.9450	0.081	2	120.9450	0.006	2	120.9450	0.006	2	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:4:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,2|C<4>}	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){2|C<3>,3|H<1>}	125.8740	0.000	1	125.8740	0.000	1	125.8740	0.000	1	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:4:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:Si[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>}	124.7510	0.000	1	124.7510	0.000	1	124.7510	0.000	1	123.4564	8.642	16	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:5:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:Si[5]-5:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCF)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCF){2|C<3>,3|H<1>}	124.5650	0.000	1	124.5650	0.000	1	125.0414	6.359	8	125.0414	6.359	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:5:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:Si[5]-5:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|O<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){2|C<3>,3|H<1>}	124.1230	0.000	1	124.5130	0.304	2	125.0414	6.359	8	125.0414	6.359	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:5:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:Si[5]-5:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|Cl<1>,1|C<3>,1|O<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){2|C<3>,3|H<1>}	124.9030	0.000	1	124.5130	0.304	2	125.0414	6.359	8	125.0414	6.359	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:5:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:Si[5]-5:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]ClCC)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){2|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]ClCC){2|C<3>,3|H<1>}	124.7660	0.064	2	124.7660	0.004	2	125.0414	6.359	8	125.0414	6.359	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:5:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:Si[5]-5:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6,6a]H)(H)	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(O[5]Si[5]){1|O<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6,6a]H)(H){1|Si<5>,1|C<4>,2|C<3>}	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CCO){2|C<3>,3|H<1>}	120.4620	0.000	1	120.4620	0.000	1	125.0414	6.359	8	125.0414	6.359	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:5:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:Si[5]-5:	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]N[5,6]C[6])(Si[5]O[5]CCO)	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|O<2>}	O[5](C[5,6]N[5,6]C[6])(Si[5]O[5]CCO){1|H<1>,2|C<3>}	128.5930	0.000	1	128.5930	0.000	1	125.0414	6.359	8	125.0414	6.359	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	3:5:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:Si[5]-5:	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	O[5](C[5,6]N[5,6]C[6])(Si[5]O[5]ClCC)	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|O<2>}	O[5](C[5,6]N[5,6]C[6])(Si[5]O[5]ClCC){1|H<1>,2|C<3>}	128.1530	0.000	1	128.1530	0.000	1	125.0414	6.359	8	125.0414	6.359	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:1:	4:3:	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[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)	O[5](C[4,5]C[4,5]C[6a]C[4])(C[5,6]C[5,6]C[6])	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>}	O[5](C[4,5]C[4,5]C[6a]C[4])(C[5,6]C[5,6]C[6]){1|O<1>,7|C<3>}	117.9310	0.000	1	117.9310	0.000	1	117.9310	0.000	1	117.9310	0.000	1	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	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[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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	123.5420	0.000	1	123.5420	0.000	1	123.5420	0.000	1	125.5885	8.376	2	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	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[5]-4:	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)	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC){3|C<3>}	127.6350	0.000	1	127.6350	0.000	1	127.6350	0.000	1	125.5885	8.376	2	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:4:	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: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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	125.4350	0.000	1	125.4350	0.000	1	125.7920	0.255	2	125.7920	0.255	2	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:4:	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: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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.1490	0.000	1	126.1490	0.000	1	125.7920	0.255	2	125.7920	0.255	2	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:4:	3:4:	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]-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]O)(CH3)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){1|C<4>,1|H<1>,2|C<3>}	123.7690	0.000	1	123.7690	0.000	1	121.9930	2.372	3	119.4908	2.349	17	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:4:	3:4:	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]-4:	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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){1|C<4>,1|O<1>,2|C<3>}	121.1050	0.109	2	121.1050	0.012	2	121.9930	2.372	3	119.4908	2.349	17	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:4:	3:4:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	C[6](C[5,6]N[5,6]O[5])2(CH3)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,1|O<3>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])2(CH3){1|Ge<3>,4|C<4>}	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.1900	0.294	2	118.9546	0.772	14	118.9546	0.772	14	119.4908	2.349	17	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:4:	3:4:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	C[6](C[5,6]N[5,6]O[5])2(CH3)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])2(CH3){1|Ge<2>,4|C<4>}	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	119.0557	0.960	10	118.9546	0.772	14	118.9546	0.772	14	119.4908	2.349	17	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:3:4:	3:4:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	C[6](C[5,6]N[5,6]O[5])2(CH3)	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])2(CH3){1|Ge<3>,4|C<4>}	O[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	118.2135	0.578	2	118.9546	0.772	14	118.9546	0.772	14	119.4908	2.349	17	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:4:1:	3:4:	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[5]-4:	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)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>}	128.8720	0.000	1	128.8720	0.000	1	128.8720	0.000	1	128.8720	0.000	1	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:4:3:	3:4:	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[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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	120.8860	0.000	1	120.8860	0.000	1	120.8860	0.000	1	123.4500	4.931	3	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:4:3:	3:4:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-4:C[6a]-3:	C[5,6]-3:Si[5]-4:	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)	O[5](C[5,6]C[5,6]C[6])(Si[5]O[5]CC)	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>}	O[5](C[5,6]C[5,6]C[6])(Si[5]O[5]CC){1|C<4>,2|C<3>}	124.7320	0.037	2	124.7320	0.001	2	124.7320	0.001	2	123.4500	4.931	3	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:4:4:	3:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[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)	O[5](C[5,6]C[5,6]C[6])(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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|O<2>,3|C<4>}	123.1885	0.661	2	123.1885	0.437	2	123.3420	0.289	3	123.3420	0.289	3	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	3:4:4:	3:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[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)(CH3)	O[5](C[5,6]C[5,6]C[6])(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|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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<3>,3|C<4>}	123.6490	0.000	1	123.6490	0.000	1	123.3420	0.289	3	123.3420	0.289	3	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	4:3:1:	3:3:	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[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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|H<1>,3|C<4>}	125.4900	0.000	1	125.4900	0.000	1	125.1645	0.212	2	125.1645	0.212	2	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	4:3:1:	3:3:	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[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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|H<1>,3|C<4>}	124.8390	0.000	1	124.8390	0.000	1	125.1645	0.212	2	125.1645	0.212	2	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	3:3:2:	4:3:1:	3:4:	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[5]-4:	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)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)	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>}	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>}	128.8410	0.000	1	128.8410	0.000	1	128.8410	0.000	1	128.8410	0.000	1	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:	3:3:1:	3:3:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H){2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<4>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|C<4>,1|H<1>,5|C<3>}	124.6236	0.310	5	124.6236	0.096	5	124.6236	0.096	5	124.6236	0.096	5	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:	3:3:1:	3:4:	C[5,6,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H)	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	124.7900	0.000	1	124.1515	0.815	2	124.1515	0.815	2	124.2783	0.456	3	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:	3:3:1:	3:4:	C[5,6,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H)	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H){2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){1|C<3>,3|C<4>,5|H<1>}	123.5130	0.000	1	124.1515	0.815	2	124.1515	0.815	2	124.2783	0.456	3	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:	3:3:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){6|C<4>}	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2C){2|C<3>,2|H<1>,4|C<4>}	124.5320	0.000	1	124.5320	0.000	1	124.5320	0.000	1	124.2783	0.456	3	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:	3:3:3:	4:3:	C[5,5,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:C-3:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O)	O[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(C[6]C[6]C){1|H<1>,2|O<1>,7|C<4>}	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O){1|C<3>,5|C<4>}	O[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]){3|C<3>,3|C<4>,3|H<1>}	121.6540	0.000	1	121.6540	0.000	1	121.6540	0.000	1	121.6540	0.000	1	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:	3:3:4:	4:3:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5]C[6]C)(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)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6]){2|C<3>,3|H<1>,7|C<4>}	123.5180	0.238	2	123.2053	0.499	4	123.2053	0.499	4	123.2053	0.499	4	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:	3:3:4:	4:3:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5]C[6]C)(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)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6]){2|C<3>,3|H<1>,7|C<4>}	123.6170	0.000	1	123.2053	0.499	4	123.2053	0.499	4	123.2053	0.499	4	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:	3:3:4:	4:3:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5]C[6]C)(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)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	O[5](C[5,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[6]){1|C<3>,3|H<1>,8|C<4>}	122.1680	0.000	1	123.2053	0.499	4	123.2053	0.499	4	123.2053	0.499	4	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:2:3:	3:4:4:	3:3:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,2|H<1>,3|C<4>}	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:2:4:	3:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:O[6]-2:C-4:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(O[6]C[5,6])(CHHO)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]C)(O[5]C[5]){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(O[6]C[5,6])(CHHO){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC){1|H<1>,1|O<2>,2|C<4>}	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:1:	3:4:	C[5,3x6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,3x6]C[3x6]2C[5])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,3x6]O[5])(C[6]C[6]O)(H)	O[5](C[5,6]C[5,3x6]C[6])(C[5]C[5]CH)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]O[5])(C[6]C[6]O)(H){1|O<2>,5|C<4>}	O[5](C[5,6]C[5,3x6]C[6])(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	124.9150	0.000	1	124.9150	0.000	1	124.9150	0.000	1	125.0811	1.980	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:1:	3:4:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:Cl-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]Cl)(O[5]C[5])	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl)	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]Cl)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	125.2230	0.000	1	125.2230	0.000	1	124.8485	0.281	2	125.0811	1.980	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:1:	3:4:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:Cl-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[6]C[6]Cl)(O[5]C[5])	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl)	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[6]C[6]Cl)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl){1|C<3>,1|H<1>,4|C<4>}	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	124.4740	0.000	1	124.4740	0.000	1	124.8485	0.281	2	125.0811	1.980	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:1:	3:4:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6,6]C[3x6]O[5]O[6])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]HH)	C[5,6](C[5,6,6]C[3x6]O[5]O[6])(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	O[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	126.9490	0.000	1	126.9490	0.000	1	126.9490	0.000	1	125.0811	1.980	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:1:	3:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(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)	O[5](C[5,6]C[5,6]C[6])(C[5]C[3]C[5]C)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[3]C[5]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	122.1740	0.000	1	122.1740	0.000	1	124.7720	3.192	4	125.0811	1.980	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:1:	3:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(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)	O[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]O)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	125.6840	0.000	1	125.6840	0.000	1	124.7720	3.192	4	125.0811	1.980	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:1:	3:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6]O[5]C)(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)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH){1|C<3>,1|H<1>,2|C<4>}	125.0800	0.000	1	125.0800	0.000	1	124.7720	3.192	4	125.0811	1.980	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:1:	3:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6]O[5]O)(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)	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,1|P<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	126.1500	0.000	1	126.1500	0.000	1	124.7720	3.192	4	125.0811	1.980	8	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a]){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|C<4>,1|H<1>,5|C<3>}	124.1020	0.000	1	124.1020	0.000	1	124.1020	0.000	1	124.1020	0.000	1	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:3:	3:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6a]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]C)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH){2|H<1>,4|C<3>}	124.0035	0.310	2	124.0035	0.096	2	124.0035	0.096	2	124.0035	0.096	2	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:4:	3:3:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[5a]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a])	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<4>,2|H<1>,3|C<3>}	122.7680	0.000	1	122.7680	0.000	1	122.7680	0.000	1	122.7680	0.000	1	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:4:	3:4:	C[3x5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-4:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]O[5])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH)	O[5](C[5,6]C[3x5,6]C[6])(C[5]C[5,5]CC)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]O[5])(C[6]C[6]C)(O[5]C[5]){1|H<1>,1|O<1>,7|C<4>}	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH){1|O<2>,5|C<4>}	O[5](C[5,6]C[3x5,6]C[6])(C[5]C[5,5]CC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.1030	0.000	1	123.1030	0.000	1	123.1030	0.000	1	122.6127	0.824	7	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:4:	3:4:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]CH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH){2|C<3>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	123.8510	0.000	1	123.8510	0.000	1	123.0115	0.618	4	122.6127	0.824	7	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:4:	3:4:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH){2|C<3>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HO){2|C<3>,2|C<4>,2|H<1>}	123.0190	0.000	1	123.0190	0.000	1	123.0115	0.618	4	122.6127	0.824	7	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:4:	3:4:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]CH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH){2|C<3>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	122.5880	0.890	2	122.5880	0.791	2	123.0115	0.618	4	122.6127	0.824	7	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:4:	3:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-3:Si[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	O[5](C[5,6]C[5,6]C[6])(Si[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5]){2|C<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|Si<4>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5,6]C[6])(Si[5]C[5]CC){1|C<3>,2|H<1>,3|C<4>}	121.4320	0.000	1	121.5700	0.038	2	121.5700	0.038	2	122.6127	0.824	7	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	3:3:4:	3:4:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-3:Si[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	O[5](C[5,6]C[5,6]C[6])(Si[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5]){3|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|Si<4>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5,6]C[6])(Si[5]C[5]CC){1|C<3>,2|H<1>,3|C<4>}	121.7080	0.000	1	121.5700	0.038	2	121.5700	0.038	2	122.6127	0.824	7	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	4:3:1:	3:4:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])	C[6](C[6,6]C[3,5,6]C[3,6,6]C)(C[5,6]C[5,6,6]O[5])(H)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5]){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3,5,6]C[3,6,6]C)(C[5,6]C[5,6,6]O[5])(H){1|H<1>,2|O<2>,6|C<4>}	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH){1|C<3>,2|H<1>,3|C<4>}	127.8325	0.325	2	127.8325	0.105	2	127.8325	0.105	2	127.8325	0.105	2	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5,6]	C[6]	O[5]	4:3:2:	4:3:4:	3:3:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]C)(O[5]C[5])	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3)	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3){1|C<3>,1|O<1>,6|C<4>}	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]O){1|H<1>,5|C<4>}	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	123.0615	9.327	133	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	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[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	O[5](C[5]C[5]C[6])(C[5]C[5]O)	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>}	O[5](C[5]C[5]C[6])(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	117.5330	0.000	1	117.5330	0.000	1	117.5330	0.000	1	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(O[5]C[5]){1|H<1>,3|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	123.0690	0.777	3	123.0690	0.603	3	123.7651	1.602	9	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(O[5]C[5]){1|H<1>,3|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Ir<6>,1|N<3>,3|C<3>}	123.6575	1.962	2	123.6575	3.850	2	123.7651	1.602	9	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Pt)(C[6]C[6]H)	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(O[5]C[5]){1|H<1>,3|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	123.8537	1.026	3	123.8537	1.053	3	123.7651	1.602	9	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H)	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(O[5]C[5]){1|H<1>,3|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Re<6>,1|N<3>,3|C<3>}	125.8030	0.000	1	125.8030	0.000	1	123.7651	1.602	9	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	120.3800	0.168	2	120.3800	0.028	2	121.8889	1.606	8	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	122.7750	0.000	1	122.7750	0.000	1	121.8889	1.606	8	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	121.9990	0.000	1	122.3152	1.242	5	121.8889	1.606	8	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	120.6330	0.000	1	122.3152	1.242	5	121.8889	1.606	8	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	122.9650	0.840	2	122.3152	1.242	5	121.8889	1.606	8	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	123.0140	0.000	1	122.3152	1.242	5	121.8889	1.606	8	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:O[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](N[6]C[6,6a]Cr)(C[5]N[5]O[5])(C[6]C[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Cr)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	124.0670	0.000	1	124.0670	0.000	1	121.5303	4.829	3	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6]-3:O[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](N[6]C[6,6a]Cu)(C[5]N[5]O[5])(C[6]C[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	120.2620	0.075	2	120.2620	0.006	2	121.5303	4.829	3	122.4343	3.926	21	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Ag)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ag)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Ag)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ag)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ag<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.0598	0.491	4	116.0598	0.241	4	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.3485	0.709	2	119.4214	0.906	23	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.1087	0.147	3	119.4214	0.906	23	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.9010	0.000	1	119.4214	0.906	23	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<6>,1|C<3>,1|N<3>,2|C<4>}	118.7460	0.288	4	119.4214	0.906	23	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){2|C<4>,3|C<3>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<6>,1|C<3>,1|N<3>,2|C<4>}	119.0032	0.561	8	119.4214	0.906	23	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	118.9640	0.000	1	119.4214	0.906	23	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){2|C<4>,3|C<3>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	120.1985	0.276	4	119.4214	0.906	23	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cu<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.5162	0.766	6	116.4917	7.547	20	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){1|Cu<4>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cu<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	112.6763	0.935	6	116.4917	7.547	20	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){1|Cu<4>,3|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<2>,1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cu<2>,1|H<1>,1|N<3>,2|C<3>}	117.6400	0.717	2	116.4917	7.547	20	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cu<5>,1|C<3>,1|N<3>,2|C<4>}	118.2455	0.351	2	116.4917	7.547	20	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cu<5>,1|C<3>,1|N<3>,2|C<4>}	119.8410	0.099	2	116.4917	7.547	20	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){3|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	118.6125	1.259	2	116.4917	7.547	20	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Fe<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.1105	1.797	6	120.2042	3.492	105	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Fe<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.6030	0.000	1	120.2042	3.492	105	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Fe<6>,1|C<3>,1|N<3>,2|C<4>}	119.1799	0.993	36	120.2042	3.492	105	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	121.9671	1.571	16	120.2042	3.492	105	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){2|C<4>,3|C<3>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	123.1018	0.442	4	120.2042	3.492	105	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){3|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	120.4480	1.743	42	120.2042	3.492	105	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ir<7>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.7490	0.000	1	121.7770	0.991	3	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ir<9>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.2910	0.751	2	121.7770	0.991	3	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Mn)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Mn<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.8890	1.677	2	118.8890	2.813	2	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ni<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.4710	0.000	1	122.4130	6.487	6	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.8603	1.353	4	122.4130	6.487	6	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.5660	0.000	1	122.4130	6.487	6	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.4412	1.118	4	120.2414	1.838	10	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	120.5690	0.000	1	120.2414	1.838	10	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5]){3|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	120.0160	1.751	5	120.2414	1.838	10	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ru<9>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.1270	0.000	1	121.4275	0.979	2	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	120.7280	0.000	1	121.4275	0.979	2	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Zn)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Zn<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.1535	0.104	2	118.1535	0.011	2	119.6687	5.348	177	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](N[6]C[6,6a]Co)(C[5]N[5]O[5])(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Co)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.6675	0.320	2	118.6675	0.103	2	119.7285	0.905	6	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5])	C[6](N[6]C[6,6a]Ir)(C[5]N[5]O[5])(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Ir)(C[5]N[5]O[5])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Ir<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.3535	0.431	2	120.3535	0.185	2	119.7285	0.905	6	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(O[5]C[5])	C[6](N[6]C[6,6a]Mn)(C[5]N[5]O[5])(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(O[5]C[5]){2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]Mn)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Mn<6>,1|C<3>,1|N<3>,2|H<1>}	120.8070	0.000	1	120.8070	0.000	1	119.7285	0.905	6	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	3:4:	C[6]-3:N[5]-3:O[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5])	C[6](N[6]C[6,6a]Pd)(C[5]N[5]O[5])(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5]){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Pd)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	119.5220	0.000	1	119.5220	0.000	1	119.7285	0.905	6	119.6707	5.197	183	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	4:3:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,5]-4:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5,5]Ni)(O[5]C[5,5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]C[5,5]Ni)(O[5]C[5,5]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]N[5]){1|Ni<5>,1|N<3>,3|C<3>,3|H<1>}	118.7270	0.000	1	118.5220	0.084	2	118.5220	0.084	2	119.3097	1.037	4	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	4:3:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,5]-4:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5,5]Ni)(O[5]C[5,5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]C[5,5]Ni)(O[5]C[5,5]){3|H<1>,4|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]N[5]){1|Ni<5>,1|N<3>,2|H<1>,3|C<3>}	118.3170	0.000	1	118.5220	0.084	2	118.5220	0.084	2	119.3097	1.037	4	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	4:3:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-4:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5]){3|H<1>,4|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	119.5760	0.000	1	119.5760	0.000	1	120.0975	0.544	2	119.3097	1.037	4	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:3:3:	4:3:	C[6]-3:N[5]-3:O[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-4:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(O[5]C[5]){3|C<3>,4|H<1>}	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	120.6190	0.000	1	120.6190	0.000	1	120.0975	0.544	2	119.3097	1.037	4	119.9320	5.663	209	121.1490	9.399	342
818	762	976	0:SP2_SP2_SP2	C[5]	C[6]	O[5]	3:3:2:	3:4:3:	3:4:	N[5]-3:C[6]-3:O[5]-2:	C[5]-3:C[6]-4:C[6]-3:	C[5]-3:C[5]-4:	C[5](N[5]C[5]Li)(C[6]C[6]2)(O[5]C[5])	C[6](C[5]N[5]O[5])(C[6]C[6]Li2)(C[6]C[6]H)	O[5](C[5]C[6]N[5])(C[5]C[5]HH)	C[5](N[5]C[5]Li)(C[6]C[6]2)(O[5]C[5]){1|Li<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5])(C[6]C[6]Li2)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6]N[5])(C[5]C[5]HH){1|Li<4>,1|C<3>,3|C<4>}	117.6950	0.000	1	117.6950	0.000	1	117.6950	0.000	1	117.6950	0.000	1	119.9320	5.663	209	121.1490	9.399	342
818	762	987	0:SP2_SP-NON_SP2	C[5,6]	C[6]	P[5]	3:2:3:	3:3:1:	3:3:	N[5,6]-3:P[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	P[5](C[5,6]N[5,6]C[6])(N[5,6]C[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	P[5](C[5,6]N[5,6]C[6])(N[5,6]C[5,6]C[6]){2|H<1>,4|C<3>}	128.6400	0.000	2	128.6400	0.000	2	128.6400	0.000	2	127.9913	1.262	3	126.5528	3.291	6	126.5528	3.291	6
818	762	987	0:SP2_SP-NON_SP2	C[5,6]	C[6]	P[5]	3:2:3:	3:3:1:	3:3:	N[5,6]-3:P[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:	C[5,6](N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6,6a]H)(H)	P[5](N[5,6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6,6a]H)(H){1|N<3>,3|C<3>}	P[5](N[5,6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[6]){1|H<1>,5|C<3>}	126.6940	0.000	1	126.6940	0.000	1	126.6940	0.000	1	127.9913	1.262	3	126.5528	3.291	6	126.5528	3.291	6
818	762	987	0:SP2_SP-NON_SP2	C[5,6]	C[6]	P[5]	3:3:2:	3:3:1:	3:2:	N[5,6]-3:C[6]-3:P[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:P[5]-2:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5])	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	P[5](C[5,6]N[5,6]C[6])(P[5]C[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5]){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|P<2>,2|C<3>}	P[5](C[5,6]N[5,6]C[6])(P[5]C[5]){1|H<1>,1|O<2>,2|C<3>}	126.0370	0.000	1	126.0370	0.000	1	126.0370	0.000	1	126.0370	0.000	1	126.5528	3.291	6	126.5528	3.291	6
818	762	987	0:SP2_SP-NON_SP2	C[5,6]	C[6]	P[5]	3:3:2:	3:3:1:	3:3:	N[5,6]-3:C[6]-3:P[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:P[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5])	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	P[5](C[5,6]N[5,6]C[6])(P[5]C[5]Mo)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5]){1|Mo<6>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|P<3>,2|C<3>}	P[5](C[5,6]N[5,6]C[6])(P[5]C[5]Mo){1|H<1>,1|O<2>,2|C<3>}	124.6530	0.489	2	124.6530	0.239	2	124.6530	0.239	2	124.6530	0.239	2	126.5528	3.291	6	126.5528	3.291	6
818	762	997	0:SP2_SP2_SP3	C[5,6]	C[6]	Se[5]	3:2:3:	3:3:1:	4:3:	N[5,6]-3:Se[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:	C[5,6](N[5,6]C[5,5]C[6])(Se[5]C[5,5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]Se[5])(C[6]C[6]H)(H)	Se[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,5]C[6])(Se[5]C[5,5])(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]Se[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	Se[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]){2|C<3>,2|C<4>,4|H<1>}	125.9780	0.000	1	125.9780	0.000	1	125.9780	0.000	1	125.9780	0.000	1	123.3203	2.300	19	123.6149	2.563	22
818	762	997	0:SP2_SP2_SP3	C[5,6]	C[6]	Se[5]	3:2:3:	3:4:3:	3:2:	C[5,6]-3:Se[5]-2:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:Se[5]-2:	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)	Se[5](C[5,6]C[5,6]C[6])(Se[5]C[5])	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>}	Se[5](C[5,6]C[5,6]C[6])(Se[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	123.3203	2.300	19	123.6149	2.563	22
818	762	997	0:SP2_SP2_SP3	C[5,6]	C[6]	Se[5]	3:3:2:	3:3:1:	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:Se[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)	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[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>}	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|Br<1>,1|C<3>,1|N<3>}	123.0620	0.000	1	123.0620	0.000	1	123.0620	0.000	1	123.3893	1.224	17	123.3203	2.300	19	123.6149	2.563	22
818	762	997	0:SP2_SP2_SP3	C[5,6]	C[6]	Se[5]	3:3:2:	3:3:1:	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:S[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)	Se[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	Se[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|Cl<1>,1|C<3>,1|N<3>}	124.7123	0.075	3	124.7123	0.006	3	124.7123	0.006	3	123.3893	1.224	17	123.3203	2.300	19	123.6149	2.563	22
818	762	997	0:SP2_SP2_SP3	C[5,6]	C[6]	Se[5]	3:3:2:	3:3:1:	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:Se[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)	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[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>}	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|Cl<1>,1|C<3>,1|N<3>}	122.6350	0.493	4	122.6350	0.243	4	122.6350	0.243	4	123.3893	1.224	17	123.3203	2.300	19	123.6149	2.563	22
818	762	997	0:SP2_SP2_SP3	C[5,6]	C[6]	Se[5]	3:3:2:	3:3:1:	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:S[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)	Se[5](C[5,6]C[5,6]C[6])(S[5]N[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>}	Se[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|C<3>,1|H<1>,1|N<3>}	124.5540	0.132	4	124.5540	0.017	4	124.5540	0.017	4	123.3893	1.224	17	123.3203	2.300	19	123.6149	2.563	22
818	762	997	0:SP2_SP2_SP3	C[5,6]	C[6]	Se[5]	3:3:2:	3:3:1:	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:Se[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)	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[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>}	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|C<3>,1|H<1>,1|N<3>}	122.2595	0.125	4	122.2595	0.016	4	122.2595	0.016	4	123.3893	1.224	17	123.3203	2.300	19	123.6149	2.563	22
818	762	997	0:SP2_SP2_SP3	C[5,6]	C[6]	Se[5]	3:3:2:	3:3:1:	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:Se[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)	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[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>}	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|C<3>,1|I<1>,1|N<3>}	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	123.3893	1.224	17	123.3203	2.300	19	123.6149	2.563	22
818	762	997	0:SP2_SP2_SP3	C[5]	C[6]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6]-3:Se[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]Pt)(C[6]C[6]N[6])(Se[5]C[5,6a])	C[6](C[5]Se[5]C[5])(N[6]C[6]Pt)(C[6]C[6]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])	C[5](C[5]C[5,6a]Pt)(C[6]C[6]N[6])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	C[6](C[5]Se[5]C[5])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	125.4803	0.404	3	125.4803	0.163	3	125.4803	0.163	3	125.4803	0.163	3	125.4803	0.163	3	123.6149	2.563	22
818	769	818	0:SP2_SP2_SP2	C[5]	C[4a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[4a]-3:C[5]-3:S[5]-2:	C[5]-3:C[4a]-3:C[4a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[4a]C[4a]2)(C[5]S[5]H)(S[5]C[5])	C[4a](C[5]C[5]S[5])(C[4a]C[4a]O)2	C[5](C[5]C[4a]S[5])(S[5]C[5])(H)	C[5](C[4a]C[4a]2)(C[5]S[5]H)(S[5]C[5]){1|O<1>,1|O<2>,2|C<3>}	C[4a](C[5]C[5]S[5])(C[4a]C[4a]O)2{1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5](C[5]C[4a]S[5])(S[5]C[5])(H){3|C<3>}	121.9520	0.000	1	121.9520	0.000	1	121.9520	0.000	1	121.9520	0.000	1	125.0233	48.176	3	125.0233	48.176	3
818	769	818	0:SP2_SP2_SP2	C[5]	C[4a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[4a]-3:C[5]-3:C[5]-3:	C[4a]-3:C[4a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[4a]C[4a]2)(C[5]C[5]C)(C[5]C[5]H)	C[4a](C[4a]C[4a]O)2(C[5]C[5]2)	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(H)	C[5](C[4a]C[4a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,2|C<3>,2|O<1>}	C[4a](C[4a]C[4a]O)2(C[5]C[5]2){1|H<1>,4|C<3>}	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(H){4|C<3>}	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	125.0233	48.176	3	125.0233	48.176	3
818	769	818	0:SP2_SP2_SP2	C[5]	C[4a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[4a]-3:C[5]-3:C[5]-3:	C[4a]-3:C[4a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[4a]C[4a]2)(C[5]C[5]C)(C[5]C[5]H)	C[4a](C[4a]C[4a]O)2(C[5]C[5]2)	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(CCC)	C[5](C[4a]C[4a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,2|C<3>,2|O<1>}	C[4a](C[4a]C[4a]O)2(C[5]C[5]2){1|H<1>,4|C<3>}	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(CCC){1|C<4>,1|H<1>,2|C<3>}	132.9700	0.000	1	132.9700	0.000	1	132.9700	0.000	1	132.9700	0.000	1	125.0233	48.176	3	125.0233	48.176	3
818	769	891	0:SP2_SP2_SP2	C[5]	C[4a]	S[5]	3:3:2:	3:3:3:	3:3:	C[4a]-3:C[5]-3:S[5]-2:	C[5]-3:C[4a]-3:C[4a]-3:	C[5]-3:C[5]-3:	C[5](C[4a]C[4a]2)(C[5]S[5]H)(S[5]C[5])	C[4a](C[5]C[5]S[5])(C[4a]C[4a]O)2	S[5](C[5]C[4a]C[5])(C[5]C[5]S[5])	C[5](C[4a]C[4a]2)(C[5]S[5]H)(S[5]C[5]){1|O<1>,1|O<2>,2|C<3>}	C[4a](C[5]C[5]S[5])(C[4a]C[4a]O)2{1|C<3>,1|H<1>,1|O<1>,1|S<2>}	S[5](C[5]C[4a]C[5])(C[5]C[5]S[5]){1|H<1>,2|C<3>,2|S<2>}	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1
818	770	818	0:SP2_SP2_SP2	C[5,6]	B	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[3,5,6]-4:C[5,6]-3:B-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]C[6a])(BC[6a]2)	B(C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]2)2	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]B)(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]C[6a])(BC[6a]2){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	B(C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]2)2	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]B)(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|F<1>,3|C<3>}	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	122.1925	0.229	2	122.1925	0.229	2	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5,6]	B	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:B-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2)	B(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)2	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	B(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)2	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,2|H<1>,3|C<3>}	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	122.1925	0.229	2	122.1925	0.229	2	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	3:3:3:	3:3:1:	4:3:1:	N[5]-3:C[5]-3:B-3:	C[5]-3:B-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(BBH)	B(C[5]C[5]N[5])(BPP)(H)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(BBH){2|Si<4>,1|O<2>,2|C<3>}	B(C[5]C[5]N[5])(BPP)(H)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H){1|C<3>,1|O<2>}	132.2560	0.000	1	132.2560	0.000	1	132.2560	0.000	1	132.2560	0.000	1	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:B-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[5](C[5]C[5,6a]B)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[5](C[5]C[5,6a]B)(C[5]C[5,6a]C)(H){2|C<3>}	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	126.4840	1.358	5	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:B-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(BC[6a]2)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H)	C[5](C[5]C[5,5]H)2(BC[6a]2){1|C<3>,1|C<4>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H){1|C<3>,1|H<1>,3|C<4>}	127.0720	0.000	1	126.0945	1.911	2	126.0945	1.911	2	126.4840	1.358	5	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:B-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(BC[6a]2)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H)	C[5](C[5]C[5,5]H)2(BC[6a]2){1|C<3>,1|C<4>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H){1|H<1>,1|N<3>,2|C<4>}	125.1170	0.000	1	126.0945	1.911	2	126.0945	1.911	2	126.4840	1.358	5	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:B-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(BC[6a]2)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl)	C[5](C[5]C[5]Cl)2(BC[6a]2){2|C<3>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl){1|Cl<1>,1|C<3>}	127.4245	0.486	2	127.4245	0.236	2	127.4245	0.236	2	126.4840	1.358	5	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:B-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:C-2:	C[5](C[5]C[6a]C[5])(C[5]B[5]C)(BC[6a]2)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](B[5]C[6a]C[5])(C[5]C[5]B)(CO)	C[5](C[5]C[6a]C[5])(C[5]B[5]C)(BC[6a]2){2|Si<4>,3|C<3>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](B[5]C[6a]C[5])(C[5]C[5]B)(CO){2|Si<4>,3|C<3>}	123.3510	0.000	1	123.3510	0.000	1	123.3510	0.000	1	123.3510	0.000	1	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:B-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]B[5]Si)(BC[6a]2)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[5](C[5]C[6a]C[5])(C[5]B[5]Si)(BC[6a]2){1|Si<4>,3|C<3>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,2|F<1>,3|C<3>}	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:B-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:Si-4:	C[5](C[5]C[6a]C[5])(C[5]B[5]Si)(BC[6a]2)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](B[5]C[6a]C[5])(C[5]C[5]B)(SiC3)	C[5](C[5]C[6a]C[5])(C[5]B[5]Si)(BC[6a]2){1|Si<4>,3|C<3>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](B[5]C[6a]C[5])(C[5]C[5]B)(SiC3){1|Si<4>,3|C<3>}	129.0750	0.000	1	129.0750	0.000	1	129.0750	0.000	1	129.0750	0.000	1	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:B-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]B[5]C)(BC[6a]2)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B)	C[5](C[5]C[6a]C[5])(C[5]B[5]C)(BC[6a]2){2|Si<4>,3|C<3>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B){1|C<2>,2|F<1>,3|C<3>}	129.1340	0.000	1	129.1340	0.000	1	129.1340	0.000	1	129.1340	0.000	1	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:Si[5]-4:B-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(BC[6a]2)	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(BC[6a]2){1|B<3>,3|C<3>}	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B){1|B<3>,2|C<4>,2|H<1>,4|C<3>}	128.5210	1.601	2	128.5210	2.563	2	128.5210	2.563	2	128.5210	2.563	2	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:B-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2){2|C<3>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H){2|C<3>,3|H<1>}	123.5605	2.210	2	123.5605	4.883	2	123.5605	4.883	2	126.4408	15.277	6	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:B-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(BC[6a]2)	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]B)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(BC[6a]2){1|C<4>,1|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]B)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	127.2810	0.000	1	127.2810	0.000	1	127.2810	0.000	1	126.4408	15.277	6	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	4:3:3:	3:3:3:	3:3:1:	P[5]-4:C[5]-3:B-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:H-1:	C[5](P[5]C[5,6]C[6a]C)(C[5]C[5,6]H)(BC[6a]2)	B(C[5]C[5]P[5])(C[6a]C[6a]2)2	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]B)(H)	C[5](P[5]C[5,6]C[6a]C)(C[5]C[5,6]H)(BC[6a]2){1|H<1>,2|C<3>,2|C<4>}	B(C[5]C[5]P[5])(C[6a]C[6a]2)2	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]B)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	130.4280	0.000	1	130.4280	0.000	1	130.4280	0.000	1	126.4408	15.277	6	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	4:3:3:	3:3:3:	3:3:1:	P[5]-4:C[5]-3:B-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](P[5]C[6a]C[5]C)(C[5]C[5]H)(BC[6a]2)	B(C[5]C[5]P[5])(C[6a]C[6a]2)2	C[5](C[5]C[5]C)(C[5]P[5]B)(H)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]H)(BC[6a]2){1|C<4>,2|C<3>,2|H<1>}	B(C[5]C[5]P[5])(C[6a]C[6a]2)2	C[5](C[5]C[5]C)(C[5]P[5]B)(H){1|C<2>,1|C<3>,2|H<1>}	131.2590	0.000	1	131.2590	0.000	1	131.2590	0.000	1	126.4408	15.277	6	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	4:3:3:	3:3:3:	3:3:1:	Si[5]-4:C[5]-3:B-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](Si[5]C[5]CC)(C[5]C[5]H)(BC[6a]2)	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	C[5](C[5]C[5]Si)(C[5]Si[5]B)(H)	C[5](Si[5]C[5]CC)(C[5]C[5]H)(BC[6a]2){2|Si<4>}	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	C[5](C[5]C[5]Si)(C[5]Si[5]B)(H){1|Si<4>,2|C<4>}	122.5560	0.000	1	122.5560	0.000	1	122.5560	0.000	1	126.4408	15.277	6	126.4936	12.030	19	126.0840	12.512	21
818	770	818	0:SP2_SP2_SP2	C[5]	B	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,5]-4:C[5]-3:B-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2)	B(C[5]C[5,5]C[5])(C[6a]C[6a]2)2	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2){1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	B(C[5]C[5,5]C[5])(C[6a]C[6a]2)2	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1	126.4936	12.030	19	126.0840	12.512	21
818	770	955	0:SP2_SP2_SP3	C[5]	B	P[5]	4:3:3:	3:3:3:	3:4:3:2:	P[5]-4:C[5]-3:B-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:C-2:	C[5](P[5]C[6a]C[5]C)(C[5]C[5]H)(BC[6a]2)	B(C[5]C[5]P[5])(C[6a]C[6a]2)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]B)(CC)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]H)(BC[6a]2){1|C<4>,2|C<3>,2|H<1>}	B(C[5]C[5]P[5])(C[6a]C[6a]2)2	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]B)(CC){1|H<1>,2|C<3>,3|C<4>}	125.2460	0.000	1	125.2460	0.000	1	125.2460	0.000	1	125.2460	0.000	1	125.5940	0.242	2	125.5940	0.242	2
818	770	955	0:SP2_SP2_SP3	C[5]	B	P[5]	4:3:3:	3:3:3:	4:3:3:2:	P[5]-4:C[5]-3:B-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:C-2:	C[5](P[5]C[5,6]C[6a]C)(C[5]C[5,6]H)(BC[6a]2)	B(C[5]C[5]P[5])(C[6a]C[6a]2)2	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]B)(CC)	C[5](P[5]C[5,6]C[6a]C)(C[5]C[5,6]H)(BC[6a]2){1|H<1>,2|C<3>,2|C<4>}	B(C[5]C[5]P[5])(C[6a]C[6a]2)2	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]B)(CC){2|C<3>,3|H<1>,4|C<4>}	125.9420	0.000	1	125.9420	0.000	1	125.9420	0.000	1	125.9420	0.000	1	125.5940	0.242	2	125.5940	0.242	2
818	778	818	5:SP2_SP2_SPD5	C[5]	C[3,5]	C[5]	5:3:1:	6:3:3:3:1:	2:3:3:	C[3,5]-5:C[5]-3:H-1:	Nb[3,5,5]-6:N[3]-3:C[6a]-3:C[5]-3:H-1:	O[5]-2:C[5]-3:C[6a]-3:	C[5](C[3,5]Nb[3,5,5]C[6a]N[3]H)(C[5]C[6a]O[5])(H)	C[3,5](Nb[3,5,5]C[5]N[3]N[5]O[5]N)(N[3]Nb[3,5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](O[5]Nb[3,5,5])(C[5]C[3,5]H)(C[6a]C[6a]2)	C[5](C[3,5]Nb[3,5,5]C[6a]N[3]H)(C[5]C[6a]O[5])(H){1|C<4>,1|N<2>,1|N<3>,5|C<3>}	C[3,5](Nb[3,5,5]C[5]N[3]N[5]O[5]N)(N[3]Nb[3,5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](O[5]Nb[3,5,5])(C[5]C[3,5]H)(C[6a]C[6a]2){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	118.3290	1.237	2	118.3290	1.531	2	118.3290	1.531	2	118.3290	1.531	2	118.3290	1.531	2	118.3290	1.531	2
818	778	863	0:SP2_SP2_SPD5	C[5]	C[3x3,4,4x5,14x6]	O	5:3:1:	6:6:6:6:3:	3:	C[3x3,4,4x5,14x6]-5:C[5,6a]-3:O-1:	B[5x3,5x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:C[5]-3:	C[5]-3:	C[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]B[5x3,5x5,17x6])(C[5,6a]C[5,6a]C[6a])(O)	C[3x3,4,4x5,14x6](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[5,6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,17x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]B[5x3,5x5,17x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[5]C[5,6a]O)	O(C[5]C[3x3,4,4x5,14x6]C[5,6a])	C[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]B[5x3,5x5,17x6])(C[5,6a]C[5,6a]C[6a])(O){1|C<5>,2|C<3>,4|H<1>,5|B<6>}	C[3x3,4,4x5,14x6](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[5,6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,17x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]B[5x3,5x5,17x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[5]C[5,6a]O){1|B<6>,2|C<3>,6|H<1>}	O(C[5]C[3x3,4,4x5,14x6]C[5,6a])	120.8920	0.000	1	120.8920	0.000	1	120.8920	0.000	1	120.8920	0.000	1	120.8920	0.000	1	120.8920	0.000	1
818	778	941	0:SP2_SP2_SPD5	C[5]	C[3x3,4x5,12x6]	N	5:3:2:	6:6:5:6:3:	3:4:	C[3x3,4x5,12x6]-5:N[5]-3:N-2:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,4x5,12x6]-5:B[4x3,3x5,12x6]-6:C[5]-3:	C[5]-3:C-4:	C[5](C[3x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(N[5]Si[5,5]C)(NC)	C[3x3,4x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2Si[5,5])(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[3]H)(C[5]N[5]N)	N(C[5]C[3x3,4x5,12x6]N[5])(CCCH)	C[5](C[3x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(N[5]Si[5,5]C)(NC){1|B<4>,1|B<5>,1|C<3>,1|O<2>,3|H<1>,4|B<6>}	C[3x3,4x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2Si[5,5])(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[3]H)(C[5]N[5]N){1|B<6>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	N(C[5]C[3x3,4x5,12x6]N[5])(CCCH)	130.4360	0.000	1	130.4360	0.000	1	130.4360	0.000	1	130.4360	0.000	1	130.4360	0.000	1	130.4360	0.000	1
818	778	951	0:SP2_SP-NON_SPD5	C[5]	C[3,5]	H	5:3:1:	4:2:3:1:1:	3:	C[3,5]-5:N[5]-3:H-1:	C[3,5]-4:H[3]-2:C[5]-3:H-1:H-1:	C[5]-3:	C[5](C[3,5]C[3,5]H[3]HH)(N[5]C[5]P)(H)	C[3,5](C[3,5]C[5]H[3]H)(H[3]C[3,5])(C[5]N[5]H)(H)2	H(C[5]C[3,5]N[5])	C[5](C[3,5]C[3,5]H[3]HH)(N[5]C[5]P)(H){2|H<1>}	C[3,5](C[3,5]C[5]H[3]H)(H[3]C[3,5])(C[5]N[5]H)(H)2{1|H<1>,1|P<4>}	H(C[5]C[3,5]N[5])	116.4280	0.000	1	116.4280	0.000	1	116.4280	0.000	1	116.4280	0.000	1	119.3570	6.649	3	119.3570	6.649	3
818	778	951	0:SP2_SP-NON_SPD5	C[5]	C[3,5]	H	5:3:1:	6:3:3:3:1:	3:	C[3,5]-5:C[5]-3:H-1:	Nb[3,5,5]-6:N[3]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:	C[5](C[3,5]Nb[3,5,5]C[6a]N[3]H)(C[5]C[6a]O[5])(H)	C[3,5](Nb[3,5,5]C[5]N[3]N[5]O[5]N)(N[3]Nb[3,5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	H(C[5]C[3,5]C[5])	C[5](C[3,5]Nb[3,5,5]C[6a]N[3]H)(C[5]C[6a]O[5])(H){1|C<4>,1|N<2>,1|N<3>,5|C<3>}	C[3,5](Nb[3,5,5]C[5]N[3]N[5]O[5]N)(N[3]Nb[3,5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[3,5]C[5])	120.8215	0.655	2	120.8215	0.430	2	120.8215	0.430	2	120.8215	0.430	2	119.3570	6.649	3	119.3570	6.649	3
818	786	818	0:SP2_SP2_SP3	C[5]	B[5]	C[5]	3:3:4:	3:2:2:1:	3:3:3:	C[5]-3:N[5]-3:B[5]-4:	C[5]-3:O[5]-2:O[5]-2:H-1:	N[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H)	B[5](C[5]C[5]N[5])(O[5]C[5])2(H)	C[5](N[5]C[6a]C[5])(C[5]B[5]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H){2|C<4>,6|C<3>}	B[5](C[5]C[5]N[5])(O[5]C[5])2(H){1|N<3>,3|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]B[5]N[5])(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	134.5460	0.000	1	134.5460	0.000	1	134.5460	0.000	1	134.5460	0.000	1	134.5460	0.000	1	134.5460	0.000	1
818	786	818	5:SP2_SP2_SP3	C[5,6]	B[5,5,6]	C[5,6]	4:3:1:	4:3:3:3:	4:3:3:	B[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H)	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2)	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]H)(C[6a]C[6a]2)	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	114.8340	0.942	2	114.8340	0.887	2	114.8340	0.887	2	114.8340	0.887	2	114.8340	0.887	2	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5,6]	B[5,6]	C[5]	4:3:3:	3:3:3:3:	3:4:3:	B[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5,6](B[5,6]C[6a]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]P[5])	B[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)(N[5]P[5]O)	C[5](C[5,6]C[6,6a]B[5,6])(P[5]C[6a]2N[5])(C[6a]C[6a]2)	C[5,6](B[5,6]C[6a]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]P[5]){10|C<3>,1|H<1>,1|O<1>}	B[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)(N[5]P[5]O){1|Si<4>,2|F<1>,9|C<3>}	C[5](C[5,6]C[6,6a]B[5,6])(P[5]C[6a]2N[5])(C[6a]C[6a]2){10|C<3>,1|O<1>,2|C<4>}	120.6870	0.000	1	120.6870	0.000	1	120.6870	0.000	1	120.6870	0.000	1	120.6870	0.000	1	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5,6]	B[5]	C[5,6]	3:4:2:	3:3:3:4:	3:3:3:	C[5,6]-3:B[5]-4:C[6]-2:	C[5,6a]-3:C[5,6]-3:N[6]-3:C-4:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]N[6]C)(C[6]C[6])	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6])(C[6]C[6]H)	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>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH){1|C<4>,2|H<1>,6|C<3>}	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>}	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	112.0600	15.268	2	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5,6]	B[5]	C[5,6]	3:4:3:	3:3:3:3:	3:4:3:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:N[5]-3:	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)	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[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>}	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>}	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>}	114.8230	0.000	1	114.8230	0.000	1	114.8230	0.000	1	114.8230	0.000	1	112.0600	15.268	2	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5,5]	C[5]	3:4:3:	3:2:2:2:	3:3:3:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5]-3:O[5]-2:O[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2)	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3	C[5](C[5]B[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]N)	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3{1|N<3>,3|C<3>,4|C<4>}	C[5](C[5]B[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]N){2|H<1>,2|O<2>,4|C<3>}	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	108.3837	2.992	9	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5,5]	C[5]	3:4:3:	3:3:3:3:	3:3:3:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2)	B[5,5](C[5]C[6a]C[5])4	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	B[5,5](C[5]C[6a]C[5])4{12|C<3>}	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	108.1364	1.671	8	108.1364	2.791	8	108.1364	2.791	8	108.1364	2.791	8	108.3837	2.992	9	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5,6,6]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	B[5,6,6]-4:C[5]-3:C[6a]-3:	O[5,6]-3:O[5,6]-3:O[5,6,6]-3:C[5]-3:	C[5]-3:B[5]-3:C[6a]-3:	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2)	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5])	C[5](C[5]B[5,6,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2)	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,2|B<3>,2|H<1>,3|B<4>,4|C<3>}	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5]){5|Cl<1>,1|O<2>,1|O<3>,8|C<3>}	C[5](C[5]B[5,6,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2){1|B<4>,2|H<1>,2|O<3>,4|C<3>}	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	109.2091	0.636	7	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5,6,6]	C[5]	4:3:3:	3:3:4:4:	3:3:1:	B[5,6,6]-4:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6,6]-4:C[6,6]-4:	C[5]-3:C[5,6]-3:H-1:	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(C[6a]C[6a]2)	B[5,6,6](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)2	C[5](C[5]B[5,6,6]C[6a])(C[5,6]N[5,6]C[6])(H)	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(C[6a]C[6a]2){4|C<3>,4|C<4>,4|H<1>}	B[5,6,6](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	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>}	110.3160	0.150	2	110.3160	0.022	2	110.3160	0.022	2	110.3160	0.022	2	109.2091	0.636	7	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5,6,6]	C[5]	4:3:3:	3:4:4:2:	3:3:4:	B[5,6,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	B[5,6,6](C[5]C[6a]C[5])(C[6,6]C[6]2H)2(O[5]C[5])	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH)	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	B[5,6,6](C[5]C[6a]C[5])(C[6,6]C[6]2H)2(O[5]C[5]){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH){2|C<3>,2|C<4>}	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	109.2091	0.636	7	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5,6,6]	C[5]	4:3:4:	3:4:4:3:	3:3:1:	B[5,6,6]-4:C[5]-3:Si-4:	N[5,6]-3:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(SiC3)	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]C[5]Si)	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]Si)(H)	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(SiC3){2|C<3>,2|H<1>,4|C<4>}	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]C[5]Si){10|H<1>,2|C<3>,2|C<4>}	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>}	108.2550	0.000	1	108.2550	0.000	1	108.2550	0.000	1	108.2550	0.000	1	109.2091	0.636	7	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5,6,6]	C[5]	4:4:3:	3:4:4:3:	3:3:1:	B[5,6,6]-4:C[5]-4:C[5]-3:	N[5,6]-3:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5]2Fe)(C[5]C[5,6]H)	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]C[5]2)	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]C[5])(H)	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5]2Fe)(C[5]C[5,6]H){2|C<3>,4|H<1>,6|C<4>}	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]C[5]2){1|Fe<10>,10|H<1>,2|C<3>,4|C<4>}	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>}	108.9615	0.029	2	108.9615	0.001	2	108.9615	0.001	2	108.9615	0.001	2	109.2091	0.636	7	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5,6]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	B[5,6]-4:C[5]-3:C[6a]-3:	O[5,6,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6]-3:C[5]-3:C[6a]-3:	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2)	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	C[5](B[5,6]O[5,6,6]O[6])(C[5]B[5,6]C[6a])(C[6a]C[6a]2)	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2){1|B<3>,1|O<2>,2|B<4>,2|H<1>,4|C<3>}	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){2|Cl<1>,1|O<2>,2|O<3>,6|C<3>}	C[5](B[5,6]O[5,6,6]O[6])(C[5]B[5,6]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<3>,1|B<4>,1|O<3>,2|H<1>,4|C<3>}	111.3200	0.000	1	111.3200	0.000	1	111.3200	0.000	1	110.4985	1.350	2	110.4985	1.350	2	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5,6]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	B[5,6]-4:C[5]-3:C[6a]-3:	O[5,6]-3:O[5,6]-3:C[5]-3:Cl-1:	C[5]-3:B[5]-3:C[6a]-3:	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2)	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2)	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|B<3>,2|B<4>,2|H<1>,4|C<3>}	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){3|Cl<1>,2|O<3>,6|C<3>}	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|O<3>,2|H<1>,4|C<3>}	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	110.4985	1.350	2	110.4985	1.350	2	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	3:3:4:	3:3:3:1:	3:3:3:	C[5]-3:C[6a]-3:B[5]-4:	C[5]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H)	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H){2|H<1>,2|N<3>,6|C<3>}	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H){2|C<4>,8|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	108.3285	0.125	2	108.3285	0.016	2	108.3285	0.016	2	108.3285	0.016	2	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	C[5]-3:B[5]-4:C[6a]-3:	O[5,6]-3:C[5]-3:Cl-1:Cl-1:	B[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2)	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2	C[5](B[5,6]O[5,6]O[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2{1|O<2>,2|O<3>,4|C<3>}	C[5](B[5,6]O[5,6]O[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){2|Cl<1>,1|B<3>,1|B<4>,2|H<1>,4|C<3>}	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:1:	3:3:3:1:	3:2:4:	B[5]-4:C[5]-3:H-1:	B[5]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](B[5]B[5]C[5]H)(C[5]O[5]C)(H)	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]B[5]H)(O[5]B[5])(CH3)	C[5](B[5]B[5]C[5]H)(C[5]O[5]C)(H){1|N<3>,2|C<4>}	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,6|C<4>}	C[5](C[5]B[5]H)(O[5]B[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:1:	3:3:3:2:	4:3:3:	B[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	P[5]-4:C[6a]-3:C[5]-3:	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5])(H)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]P[5])	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]H)	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5])(H){8|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]P[5]){4|F<1>,7|C<3>}	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]H){2|H<1>,8|C<3>}	118.7600	1.551	2	118.7600	2.407	2	118.7600	2.407	2	118.7600	2.407	2	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	B[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	S[5]-3:C[6a]-3:C[5]-3:	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(H)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]S[5]C)	C[5](S[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H)	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(H){8|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]S[5]C){4|F<1>,6|C<3>}	C[5](S[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H){2|H<1>,7|C<3>}	119.9285	1.217	2	119.9285	1.481	2	119.9285	1.481	2	119.9285	1.481	2	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:1:	3:3:3:3:	4:3:4:	B[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	P[5]-4:C[5]-3:C-4:	C[5](B[5]C[6a]2C[5])(C[5]P[5]C)(H)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C)	C[5](P[5]C[6a]2C[5])(C[5]B[5]H)(CCHH)	C[5](B[5]C[6a]2C[5])(C[5]P[5]C)(H){7|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C){1|C<4>,4|F<1>,6|C<3>}	C[5](P[5]C[6a]2C[5])(C[5]B[5]H)(CCHH){7|C<3>}	122.0680	0.303	2	122.0680	0.092	2	122.0680	0.092	2	122.0680	0.092	2	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:1:	4:3:1:1:	4:3:4:	B[5]-4:C[5]-3:H-1:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](B[5]N[5]HH)(C[5]C[5]C)(H)	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH)	C[5](B[5]N[5]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH){2|C<4>,2|H<1>}	112.3570	0.000	1	112.3570	0.000	1	112.3570	0.000	1	112.3570	0.000	1	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:N[6]-3:Cl-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl){2|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,7|C<3>}	107.5055	0.289	2	107.5055	0.084	2	107.5055	0.084	2	109.2937	2.103	6	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:Cl-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){1|C<4>,2|H<1>,7|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>}	110.3660	0.479	3	110.1877	0.280	4	110.1877	0.280	4	109.2937	2.103	6	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:Cl-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){3|H<1>,7|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>}	109.6530	0.000	1	110.1877	0.280	4	110.1877	0.280	4	109.2937	2.103	6	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,8|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO){2|F<1>,8|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|F<1>,8|C<3>}	108.2450	0.045	2	108.2450	0.002	2	108.2450	0.002	2	107.7142	0.403	4	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OP)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OP){2|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	107.1835	0.282	2	107.1835	0.080	2	107.1835	0.080	2	107.7142	0.403	4	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:3:	3:2:4:	B[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C)	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C)	C[5](C[5]C[6a]B[5])(S[5]C[5])(CC3)	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C){2|F<1>,7|C<3>}	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C){1|C<4>,4|F<1>,6|C<3>}	C[5](C[5]C[6a]B[5])(S[5]C[5])(CC3){5|C<3>}	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:3:	3:3:1:	B[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(H)	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|F<1>,8|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(H){1|H<1>,6|C<3>}	108.4100	0.000	1	108.4100	0.000	1	108.4100	0.000	1	108.4100	0.000	1	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	108.0745	1.109	4	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2{10|C<3>,4|H<1>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	108.0745	1.109	4	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:N[6]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,9|C<3>}	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2){10|C<3>,3|H<1>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	107.7230	0.656	2	107.7230	0.431	2	107.7230	0.431	2	108.0745	1.109	4	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:3:	3:4:1:	B[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]C)	C[5](C[5]C[6a]B[5])(C[5]O[5]HH)(H)	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|F<1>,2|H<1>,6|C<3>}	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]C){3|H<1>,4|F<1>,6|C<3>}	C[5](C[5]C[6a]B[5])(C[5]O[5]HH)(H){1|C<4>,4|C<3>}	112.0720	0.000	1	112.0720	0.000	1	112.0720	0.000	1	112.0720	0.000	1	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:P-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH){2|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|P<4>,2|H<1>,8|C<3>}	107.8415	0.220	2	107.8415	0.048	2	107.8415	0.048	2	108.9123	3.464	3	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C-4:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](B[5]N[5,6]C[6a]C)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]N[5,6]C[6a]C)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3){3|H<1>,7|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>}	111.0540	0.000	1	111.0540	0.000	1	111.0540	0.000	1	108.9123	3.464	3	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	3:3:4:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-4:N[6]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(C[5]C[5]2Mn)(N[6]C[6]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Mn<8>,2|C<4>,2|H<1>,8|C<3>}	B[5](C[5]C[6a]C[5])2(C[5]C[5]2Mn)(N[6]C[6]2){2|C<4>,4|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	107.6780	0.062	2	107.6780	0.004	2	107.6780	0.004	2	107.6780	0.004	2	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:3:	4:3:3:2:	3:4:4:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:C-2:	C[5]-3:C[3]-4:C[5]-4:	C[5](B[5]C[6a]C[5]C)(C[5]C[3]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH)	C[5](B[5]C[6a]C[5]C)(C[5]C[3]C[5])(C[6a]C[6a]2){2|F<1>,3|C<4>,3|H<1>,5|C<3>}	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,2|F<1>,6|C<3>}	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH){1|C<2>,4|C<3>,5|H<1>}	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:4:	3:3:3:3:	3:3:3:	B[5]-4:C[5]-3:Si-4:	C[6a]-3:C[5]-3:C[5]-3:N[6]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3)	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3){1|Si<4>,1|B<4>,6|C<3>}	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2){1|B<4>,4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	105.8390	0.000	1	105.8390	0.000	1	105.8390	0.000	1	105.8390	0.000	1	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:4:	3:3:3:3:	3:4:3:	B[5]-4:C[5]-3:Si-4:	C[6a]-3:C[5]-3:C[5]-3:N[6]-3:	C[5]-3:B-4:C[5]-3:	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3)	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2)	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si)	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3){1|Si<4>,5|C<3>}	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2){1|B<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si){1|Si<4>,1|N<3>,3|C<3>}	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:4:	3:3:3:3:	4:3:4:	B[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	P[5]-4:C[5]-3:Si-4:	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH)	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N)	C[5](P[5]C[6a]2C[5])(C[5]B[5]C)(SiC3)	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH){1|N<2>,6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N){1|Si<4>,4|F<1>,6|C<3>}	C[5](P[5]C[6a]2C[5])(C[5]B[5]C)(SiC3){1|N<2>,6|C<3>}	119.4990	0.041	2	119.4990	0.002	2	119.4990	0.002	2	118.4042	0.947	6	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:4:	3:3:3:3:	4:3:4:	B[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	P[5]-4:C[5]-3:Si-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH)	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O)	C[5](P[5]C[6a]2N[5])(C[5]B[5]C)(SiC3)	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH){1|O<1>,6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O){1|Si<4>,4|F<1>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]C)(SiC3){1|O<1>,6|C<3>}	118.3355	0.435	2	117.8568	0.379	4	117.8568	0.379	4	118.4042	0.947	6	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:4:	3:3:3:3:	4:3:4:	B[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	P[5]-4:C[5]-3:Si-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH)	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O)	C[5](P[5]C[6a]2N[5])(C[5]B[5]C)(SiC3)	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH){1|O<2>,6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O){1|Si<4>,4|F<1>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]C)(SiC3){1|O<2>,6|C<3>}	117.3780	0.177	2	117.8568	0.379	4	117.8568	0.379	4	118.4042	0.947	6	112.0503	24.511	44	111.4269	20.388	67
818	786	818	5:SP2_SP2_SP3	C[5]	B[5]	C[5]	4:3:4:	4:3:3:3:	4:3:3:	B[5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3)	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]B[5]C)	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3){1|C<4>,2|H<1>,7|C<3>}	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]C){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]B[5]C){5|H<1>,6|C<3>}	112.0145	0.029	2	112.0145	0.001	2	112.0145	0.001	2	112.0145	0.001	2	112.0503	24.511	44	111.4269	20.388	67
818	786	818	6:SP2_SP2_SP3	C[5,6]	B[5,5,6]	C[5,6]	4:3:1:	4:3:3:3:	4:3:3:	B[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H)	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2)	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]H)(C[6a]C[6a]2)	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	113.2865	0.081	2	113.2865	0.007	2	113.2865	0.007	2	113.2865	0.007	2	113.2865	0.007	2	113.2865	0.007	2
818	786	846	5:SP2_SP2_SP3	C[5]	B[5]	C[4,5]	3:4:3:	3:3:3:3:	4:4:3:	C[4,5]-3:B[5]-4:N[6]-3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:N[4,6]-4:C[5]-3:	C[5](C[4,5]C[4,5]N[4,6])(B[5]C[6a]2C[5])(N[6]C[6]2)	B[5](C[5]C[4,5]N[6])2(C[6a]C[6a]2)2	C[4,5](C[4,5]B[4]C[5]N[6])(N[4,6]B[4]C[6]2)(C[5]B[5]N[6])	C[5](C[4,5]C[4,5]N[4,6])(B[5]C[6a]2C[5])(N[6]C[6]2){1|B<4>,2|N<3>,4|C<3>,4|C<4>,4|H<1>}	B[5](C[5]C[4,5]N[6])2(C[6a]C[6a]2)2{1|B<4>,1|N<3>,1|N<4>,4|C<3>,8|C<4>}	C[4,5](C[4,5]B[4]C[5]N[6])(N[4,6]B[4]C[6]2)(C[5]B[5]N[6]){1|N<3>,2|C<3>,2|F<1>,4|H<1>,6|C<4>}	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1
818	786	856	0:SP2_SP2_SP3	C[5]	B[5]	N[6]	4:4:3:	3:3:3:3:	3:4:4:	C[4,5]-4:B[5]-4:N[6]-3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6]-4:C[6]-4:	C[5](C[4,5]C[4,5]B[4]N[6])(B[5]C[6a]2C[5])(N[6]C[6]2)	B[5](C[5]C[4,5]N[6])2(C[6a]C[6a]2)2	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2	C[5](C[4,5]C[4,5]B[4]N[6])(B[5]C[6a]2C[5])(N[6]C[6]2){1|N<3>,1|N<4>,2|F<1>,4|C<3>,4|C<4>,4|H<1>}	B[5](C[5]C[4,5]N[6])2(C[6a]C[6a]2)2{1|B<4>,1|N<3>,1|N<4>,4|C<3>,8|C<4>}	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2{1|B<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	132.7440	0.000	1	132.7440	0.000	1	132.7440	0.000	1	132.7440	0.000	1	132.7440	0.000	1	132.7440	0.000	1
818	786	856	0:SP2_SP3_SP3	C[5]	B[5]	N[6]	3:4:3:	3:3:3:3:	3:4:4:	C[4,5]-3:B[5]-4:N[6]-3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6]-4:C[6]-4:	C[5](C[4,5]C[4,5]N[4,6])(B[5]C[6a]2C[5])(N[6]C[6]2)	B[5](C[5]C[4,5]N[6])2(C[6a]C[6a]2)2	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2	C[5](C[4,5]C[4,5]N[4,6])(B[5]C[6a]2C[5])(N[6]C[6]2){1|B<4>,2|N<3>,4|C<3>,4|C<4>,4|H<1>}	B[5](C[5]C[4,5]N[6])2(C[6a]C[6a]2)2{1|B<4>,1|N<3>,1|N<4>,4|C<3>,8|C<4>}	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2{1|N<4>,2|C<4>,3|C<3>,4|H<1>}	129.1790	0.000	1	129.1790	0.000	1	129.1790	0.000	1	129.1790	0.000	1	129.1790	0.000	1	129.1790	0.000	1
818	786	863	0:SP2_SP2_SP3	C[5]	B[5]	O	4:3:1:	3:3:3:3:	3:	B[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:	C[5](B[5]C[6a]2N[5])(N[5]C[5]C)(O)	B[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C)	O(C[5]B[5]N[5])	C[5](B[5]C[6a]2N[5])(N[5]C[5]C)(O){1|C<4>,1|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,4|C<3>,4|F<1>}	O(C[5]B[5]N[5])	132.8260	0.000	1	132.8260	0.000	1	132.8260	0.000	1	132.8260	0.000	1	132.8260	0.000	1	132.8260	0.000	1
818	786	880	0:SP2_SP3_SP3	C[5]	B[5,6,6]	Si	4:3:4:	3:4:4:3:	3:4:4:4:	B[5,6,6]-4:C[5]-3:Si-4:	N[5,6]-3:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(SiC3)	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]C[5]Si)	Si(C[5]B[5,6,6]C[5])(CH3)3	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(SiC3){2|C<3>,2|H<1>,4|C<4>}	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]C[5]Si){10|H<1>,2|C<3>,2|C<4>}	Si(C[5]B[5,6,6]C[5])(CH3)3	136.6690	0.000	1	136.6690	0.000	1	136.6690	0.000	1	136.6690	0.000	1	136.6690	0.000	1	126.5927	92.338	3
818	786	880	0:SP2_SP3_SP3	C[5]	B[5]	Si	4:3:4:	3:3:3:3:	3:4:4:4:	B[5]-4:C[5]-3:Si-4:	C[6a]-3:C[5]-3:C[5]-3:N[6]-3:	C[5]-3:C-4:C-4:C-4:	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3)	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2)	Si(C[5]B[5]C[5])(CH3)3	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3){1|Si<4>,5|C<3>}	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2){1|B<4>,4|H<1>,5|C<3>}	Si(C[5]B[5]C[5])(CH3)3	117.5310	0.000	1	117.5310	0.000	1	121.5545	32.377	2	121.5545	32.377	2	121.5545	32.377	2	126.5927	92.338	3
818	786	880	0:SP2_SP3_SP3	C[5]	B[5]	Si	4:3:4:	3:3:3:3:	3:4:4:4:	B[5]-4:C[5]-3:Si-4:	C[6a]-3:C[5]-3:C[5]-3:N[6]-3:	C[5]-3:C-4:C-4:C-4:	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3)	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2)	Si(C[5]B[5]C[5])(CH3)3	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3){1|Si<4>,1|B<4>,6|C<3>}	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2){1|B<4>,4|H<1>,5|C<3>}	Si(C[5]B[5]C[5])(CH3)3	125.5780	0.000	1	125.5780	0.000	1	121.5545	32.377	2	121.5545	32.377	2	121.5545	32.377	2	126.5927	92.338	3
818	786	891	5:SP2_SP2_SP3	C[5]	B[5]	S[5]	4:2:3:	3:3:3:3:	3:3:	B[5]-4:S[5]-2:C-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](B[5]C[6a]2C[5])(S[5]C[5])(CCC)	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C)	S[5](C[5]B[5]C)(C[5]C[5]C)	C[5](B[5]C[6a]2C[5])(S[5]C[5])(CCC){1|C<4>,5|C<3>}	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C){1|C<4>,4|F<1>,6|C<3>}	S[5](C[5]B[5]C)(C[5]C[5]C){3|C<3>}	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1
818	786	893	0:SP2_SP2_SP3	C[5]	B[5]	O	4:4:2:	4:3:3:3:	3:4:	B[5]-4:C[5]-4:O-2:	P[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:B-4:	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(OB)	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]O)	O(C[5]B[5]C[5])(BC[6a]2C)	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(OB){1|C<4>,2|H<1>,5|C<3>}	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]O){4|F<1>,4|H<1>,6|C<3>}	O(C[5]B[5]C[5])(BC[6a]2C)	119.8292	2.022	5	119.8292	4.087	5	119.8292	4.087	5	119.8292	4.087	5	119.8292	4.087	5	119.8292	4.087	5
818	786	930	0:SP2_SP2_SP3	C[5]	B[5]	C	3:4:3:	3:3:3:3:	3:4:1:	C[5,6a]-3:B[5]-4:C-3:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH)	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	C(C[5]C[5,6a]B[5])(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH){1|H<1>,7|C<3>}	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2){1|C<4>,3|H<1>,6|C<3>}	C(C[5]C[5,6a]B[5])(CC3)(H)	122.4260	0.642	2	122.4260	0.412	2	122.4260	0.412	2	122.4260	0.412	2	129.0812	23.352	13	129.0812	23.352	13
818	786	930	0:SP2_SP2_SP3	C[5]	B[5]	C	4:2:3:	3:3:3:3:	3:4:4:	B[5]-4:S[5]-2:C-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-4:	C[5](B[5]C[6a]2C[5])(S[5]C[5])(CCC)	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C)	C(C[5]B[5]S[5])(CCCP)(CH3)	C[5](B[5]C[6a]2C[5])(S[5]C[5])(CCC){1|C<4>,5|C<3>}	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C){1|C<4>,4|F<1>,6|C<3>}	C(C[5]B[5]S[5])(CCCP)(CH3)	127.0160	0.000	1	127.0160	0.000	1	127.0160	0.000	1	127.0160	0.000	1	129.0812	23.352	13	129.0812	23.352	13
818	786	930	0:SP2_SP2_SP3	C[5]	B[5]	C	4:3:3:	3:3:3:3:	3:4:1:	B[5]-4:S[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](B[5]C[6a]2C[5])(S[5]C[6a]C[5])(CCH)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]S[5]C)	C(C[5]B[5]S[5])(CC3)(H)	C[5](B[5]C[6a]2C[5])(S[5]C[6a]C[5])(CCH){1|H<1>,7|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]S[5]C){4|F<1>,6|C<3>}	C(C[5]B[5]S[5])(CC3)(H)	133.6930	8.098	2	133.6930	65.574	2	133.6930	65.574	2	133.6930	65.574	2	129.0812	23.352	13	129.0812	23.352	13
818	786	930	0:SP2_SP2_SP3	C[5]	B[5]	C	4:4:3:	3:3:3:2:	3:4:1:	B[5]-4:P[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C-4:H-1:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH)	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5])	C(C[5]B[5]P[5])(CH3)(H)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH){1|H<1>,9|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5]){1|H<1>,4|F<1>,7|C<3>}	C(C[5]B[5]P[5])(CH3)(H)	130.4010	0.004	2	130.4010	0.000	2	127.7867	9.494	4	127.7867	9.494	4	129.0812	23.352	13	129.0812	23.352	13
818	786	930	0:SP2_SP2_SP3	C[5]	B[5]	C	4:4:3:	3:3:3:2:	3:4:1:	B[5]-4:P[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C-4:H-1:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]C[5]H)(CCH)	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5])	C(C[5]B[5]P[5])(CC3)(H)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]C[5]H)(CCH){1|C<2>,1|C<4>,6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,4|F<1>,5|C<3>}	C(C[5]B[5]P[5])(CC3)(H)	125.1725	1.070	2	125.1725	1.145	2	127.7867	9.494	4	127.7867	9.494	4	129.0812	23.352	13	129.0812	23.352	13
818	786	930	0:SP2_SP2_SP3	C[5]	B[5]	C	4:4:3:	3:3:3:3:	3:4:1:	B[5]-4:P[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(CCH)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C)	C(C[5]B[5]P[5])(CH3)(H)	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(CCH){1|C<4>,1|H<1>,8|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C){1|C<4>,4|F<1>,6|C<3>}	C(C[5]B[5]P[5])(CH3)(H)	130.3700	0.574	2	130.3700	0.330	2	130.3700	0.330	2	130.3700	0.330	2	129.0812	23.352	13	129.0812	23.352	13
818	786	930	0:SP2_SP2_SP3	C[5]	B[5]	C	4:4:3:	4:3:1:1:	3:3:1:	P[5]-4:B[5]-4:C-3:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:H-1:	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H)	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2	C(C[5]B[5]P[5])(C[6a]C[6a]2)(H)	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H){2|C<4>,4|C<3>}	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2{2|C<3>}	C(C[5]B[5]P[5])(C[6a]C[6a]2)(H)	133.4575	1.307	2	133.4575	1.709	2	133.4575	1.709	2	133.4575	1.709	2	129.0812	23.352	13	129.0812	23.352	13
818	786	941	0:SP2_SP2_SP3	C[5]	B[5]	N	4:4:2:	3:3:3:3:	3:4:	B[5]-4:P[5]-4:N-2:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NC)	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N)	N(C[5]B[5]P[5])(CCHH)	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NC){1|Si<4>,1|C<4>,8|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N){1|Si<4>,4|F<1>,6|C<3>}	N(C[5]B[5]P[5])(CCHH)	142.5730	0.195	2	142.5730	0.038	2	142.5730	0.038	2	142.5730	0.038	2	142.5730	0.038	2	142.5730	0.038	2
818	786	951	0:SP2_SP-NON_SP3	C[5,6]	B[5,5,6]	H	4:3:1:	4:3:3:3:	3:	B[5,5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H)	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2)	H(C[5,6]B[5,5,6]C[5,6])	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	H(C[5,6]B[5,5,6]C[5,6])	122.9638	0.533	4	122.9638	0.284	4	122.9638	0.284	4	122.9638	0.284	4	122.9638	0.284	4	121.6522	4.213	12
818	786	951	0:SP2_SP-NON_SP3	C[5]	B[5]	H	4:3:1:	3:3:3:1:	3:	B[5]-4:C[5]-3:H-1:	B[5]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](B[5]B[5]C[5]H)(C[5]O[5]C)(H)	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H)	H(C[5]B[5]C[5])	C[5](B[5]B[5]C[5]H)(C[5]O[5]C)(H){1|N<3>,2|C<4>}	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,6|C<4>}	H(C[5]B[5]C[5])	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1	120.9964	5.024	8	121.6522	4.213	12
818	786	951	0:SP2_SP-NON_SP3	C[5]	B[5]	H	4:3:1:	3:3:3:2:	3:	B[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5])(H)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]P[5])	H(C[5]B[5]C[5])	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5])(H){8|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]P[5]){4|F<1>,7|C<3>}	H(C[5]B[5]C[5])	120.5830	0.829	2	120.5830	0.687	2	120.5830	0.687	2	120.5830	0.687	2	120.9964	5.024	8	121.6522	4.213	12
818	786	951	0:SP2_SP-NON_SP3	C[5]	B[5]	H	4:3:1:	3:3:3:3:	3:	B[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(H)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]S[5]C)	H(C[5]B[5]C[5])	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(H){8|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]S[5]C){4|F<1>,6|C<3>}	H(C[5]B[5]C[5])	120.0860	0.553	2	120.0860	0.306	2	119.5085	0.559	4	119.5085	0.559	4	120.9964	5.024	8	121.6522	4.213	12
818	786	951	0:SP2_SP-NON_SP3	C[5]	B[5]	H	4:3:1:	3:3:3:3:	3:	B[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](B[5]C[6a]2C[5])(C[5]P[5]C)(H)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C)	H(C[5]B[5]C[5])	C[5](B[5]C[6a]2C[5])(C[5]P[5]C)(H){7|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C){1|C<4>,4|F<1>,6|C<3>}	H(C[5]B[5]C[5])	118.9310	0.194	2	118.9310	0.038	2	119.5085	0.559	4	119.5085	0.559	4	120.9964	5.024	8	121.6522	4.213	12
818	786	951	0:SP2_SP-NON_SP3	C[5]	B[5]	H	4:3:1:	4:3:1:1:	3:	B[5]-4:C[5]-3:H-1:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-3:	C[5](B[5]N[5]HH)(C[5]C[5]C)(H)	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2	H(C[5]B[5]C[5])	C[5](B[5]N[5]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	H(C[5]B[5]C[5])	123.8230	0.000	1	123.8230	0.000	1	123.8230	0.000	1	123.8230	0.000	1	120.9964	5.024	8	121.6522	4.213	12
818	786	955	5:SP2_SP3_SP3	C[5]	B[5]	P[5]	4:4:2:	3:3:3:3:	3:3:3:3:	B[5]-4:P[5]-4:N-2:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NC)	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(C[5]B[5]N)	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NC){1|Si<4>,1|C<4>,8|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N){1|Si<4>,4|F<1>,6|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(C[5]B[5]N){1|C<4>,4|H<1>,6|C<3>}	102.8925	0.245	2	102.8925	0.060	2	102.8925	0.060	2	102.8925	0.060	2	105.5701	3.739	10	105.5701	3.739	10
818	786	955	5:SP2_SP3_SP3	C[5]	B[5]	P[5]	4:4:3:	3:3:3:2:	3:3:4:3:	B[5]-4:P[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH)	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5])	P[5](C[6a]C[6a]2)2(C[5]O[5]CH)(C[5]B[5]C)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH){1|H<1>,9|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5]){1|H<1>,4|F<1>,7|C<3>}	P[5](C[6a]C[6a]2)2(C[5]O[5]CH)(C[5]B[5]C){4|F<1>,6|C<3>}	104.4120	0.000	1	104.4120	0.000	1	104.4120	0.000	1	104.4120	0.000	1	105.5701	3.739	10	105.5701	3.739	10
818	786	955	5:SP2_SP3_SP3	C[5]	B[5]	P[5]	4:4:3:	3:3:3:2:	3:4:3:1:	B[5]-4:P[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]C[5]H)(CCH)	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5])	P[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]B[5]C)(H)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]C[5]H)(CCH){1|C<2>,1|C<4>,6|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,4|F<1>,5|C<3>}	P[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]B[5]C)(H){2|C<4>,4|C<3>}	105.8055	0.091	2	105.8055	0.008	2	105.8055	0.008	2	105.8055	0.008	2	105.5701	3.739	10	105.5701	3.739	10
818	786	955	5:SP2_SP3_SP3	C[5]	B[5]	P[5]	4:4:3:	3:3:3:2:	4:3:3:3:	B[5]-4:P[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH)	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5])	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]C)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH){1|H<1>,9|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5]){1|H<1>,4|F<1>,7|C<3>}	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]C){4|F<1>,8|C<3>}	104.1700	0.000	1	104.1700	0.000	1	104.1700	0.000	1	104.1700	0.000	1	105.5701	3.739	10	105.5701	3.739	10
818	786	955	5:SP2_SP3_SP3	C[5]	B[5]	P[5]	4:4:3:	3:3:3:3:	3:3:3:3:	B[5]-4:P[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(CCH)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C)	P[5](C[6a]C[6a]2)2(C[5]B[5]C)(C[5]C[5]C)	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(CCH){1|C<4>,1|H<1>,8|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C){1|C<4>,4|F<1>,6|C<3>}	P[5](C[6a]C[6a]2)2(C[5]B[5]C)(C[5]C[5]C){1|H<1>,4|F<1>,6|C<3>}	106.8100	0.454	2	106.8100	0.206	2	106.8100	0.206	2	106.8100	0.206	2	105.5701	3.739	10	105.5701	3.739	10
818	786	955	5:SP2_SP3_SP3	C[5]	B[5]	P[5]	4:4:3:	4:3:1:1:	3:3:3:2:	P[5]-4:B[5]-4:C-3:	P[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H)	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2	P[5](C[6a]C[6a]2)2(C[5]B[5]C)(N[5]P[5])	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H){2|C<4>,4|C<3>}	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2{2|C<3>}	P[5](C[6a]C[6a]2)2(C[5]B[5]C)(N[5]P[5]){2|C<4>,4|C<3>,6|H<1>}	108.0515	0.484	2	108.0515	0.235	2	108.0515	0.235	2	108.0515	0.235	2	105.5701	3.739	10	105.5701	3.739	10
818	786	960	5:SP2_SP2_SP3	C[5]	B[5,5]	N[5]	4:3:2:	3:3:2:2:	3:3:	B[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:N[5]-3:O[5]-2:O[5]-2:	C[5]-3:C[5]-3:	C[5](B[5,5]N[5]O[5]2)(C[6a]C[6a]2)(N[5]C[5])	B[5,5](C[5]C[6a]N[5])(N[5]C[5]Mg)(O[5]C[5])2	N[5](C[5]B[5,5]C[6a])(C[5]C[6a]N[5])	C[5](B[5,5]N[5]O[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|Mg<4>,1|H<1>,3|C<3>,3|C<4>}	B[5,5](C[5]C[6a]N[5])(N[5]C[5]Mg)(O[5]C[5])2{3|C<3>,4|C<4>}	N[5](C[5]B[5,5]C[6a])(C[5]C[6a]N[5]){1|Mg<4>,2|O<2>,4|C<3>}	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	127.9895	0.548	2	127.9895	0.300	2	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,3x6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,3x6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,3x6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,3x6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	127.9360	0.370	4	127.9360	0.137	4	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	127.7205	0.100	2	127.7205	0.010	2	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	127.6658	0.112	4	128.0904	0.363	16	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	128.1440	0.000	1	128.0904	0.363	16	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	126.9730	0.000	1	128.0904	0.363	16	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	128.2949	0.559	8	128.0904	0.363	16	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|H<1>,2|C<4>}	129.0310	0.000	1	128.0904	0.363	16	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|H<1>,2|C<4>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	128.2760	0.000	1	128.0904	0.363	16	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	127.9505	0.461	4	128.1348	0.386	33	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,2|C<4>,3|H<1>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,2|C<4>,3|H<1>}	128.0165	0.368	2	128.1348	0.386	33	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	128.0568	0.578	14	128.1348	0.386	33	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<4>,2|H<1>}	129.6270	0.000	1	128.1348	0.386	33	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>}	129.1105	0.910	2	128.1348	0.386	33	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<4>,2|H<1>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	127.2630	0.000	1	128.1348	0.386	33	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|H<1>,2|C<4>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|H<1>,2|C<4>}	128.0787	0.393	9	128.1348	0.386	33	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	128.7715	0.506	2	127.7932	0.716	14	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	126.6400	0.639	2	127.7932	0.716	14	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>}	127.1835	0.883	2	127.7932	0.716	14	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|H<1>,2|C<4>}	128.4892	0.206	4	127.7932	0.716	14	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|H<1>,2|C<4>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	127.4895	0.196	4	127.7932	0.716	14	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5,6]	Cl	C[5,6]	4:3:1:	3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:Cl-1:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,2|C<3>}	Cl(C[5,6]C[5,5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]Cl)(Cl){3|Cl<1>,2|C<3>}	128.3740	0.873	4	128.3740	0.762	4	128.0488	0.432	75	128.0488	0.432	75	128.0488	0.432	75	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5,5]	3:3:1:	3:	4:4:3:	C[5,5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl)	Cl(C[5]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl)	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	Cl(C[5]C[5,5]C[5])	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl){2|H<1>,3|C<4>}	128.4810	0.000	1	128.4810	0.000	1	128.4810	0.000	1	129.1180	0.812	2	126.4087	10.061	4	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5,5]	3:3:1:	3:	4:4:3:	C[5,5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl)	Cl(C[5]C[5,5]C[5])	C[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]Cl)	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl){1|H<1>,6|C<4>}	Cl(C[5]C[5,5]C[5])	C[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]Cl){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	129.7550	0.000	1	129.7550	0.000	1	129.7550	0.000	1	129.1180	0.812	2	126.4087	10.061	4	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5,5]	3:3:1:	3:	5:3:3:	C[5,5]-3:C[5,6a]-3:Cl-1:	C[5]-3:	P[5,5,6]-5:C[5,6a]-3:C[5]-3:	C[5](C[5,5]P[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[6a])(Cl)	Cl(C[5]C[5,6a]C[5,5])	C[5,5](P[5,5,6]C[5,6a]C[6,6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl)	C[5](C[5,5]P[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[6a])(Cl){1|H<1>,1|O<2>,6|C<3>}	Cl(C[5]C[5,6a]C[5,5])	C[5,5](P[5,5,6]C[5,6a]C[6,6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl){1|H<1>,8|C<3>}	123.6270	0.000	1	123.6270	0.000	1	123.6270	0.000	1	123.6995	0.011	2	126.4087	10.061	4	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5,5]	3:3:1:	3:	5:3:3:	C[5,5]-3:C[5,6a]-3:Cl-1:	C[5]-3:	P[5,5]-5:C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(Cl)	Cl(C[5]C[5,6a]C[5,5])	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl)	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(Cl){1|H<1>,1|O<2>,6|C<3>}	Cl(C[5]C[5,6a]C[5,5])	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl){1|H<1>,8|C<3>}	123.7720	0.000	1	123.7720	0.000	1	123.7720	0.000	1	123.6995	0.011	2	126.4087	10.061	4	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5,6]	3:3:1:	3:	3:3:3:	C[5,6a]-3:C[5,6]-3:Cl-1:	C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl)	Cl(C[5]C[5,6a]C[5,6])	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl){1|H<1>,5|C<3>}	Cl(C[5]C[5,6a]C[5,6])	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>}	129.0830	0.000	1	129.0830	0.000	1	129.0830	0.000	1	129.0830	0.000	1	127.3063	2.822	3	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5,6]	3:3:1:	3:	4:3:4:	C[5,6a]-3:C[5,6]-3:Cl-1:	C[5]-3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl)	Cl(C[5]C[5,6a]C[5,6])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	Cl(C[5]C[5,6a]C[5,6])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	125.7440	0.000	1	125.7440	0.000	1	125.7440	0.000	1	125.7440	0.000	1	127.3063	2.822	3	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5,6]	3:3:1:	3:	4:4:3:	C[5,6]-3:C[5]-3:Cl-1:	C[5]-3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl)	Cl(C[5]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl){2|C<3>,2|C<4>,3|H<1>}	Cl(C[5]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	127.0920	0.000	1	127.0920	0.000	1	127.0920	0.000	1	127.0920	0.000	1	127.3063	2.822	3	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:2:1:	C[5]-3:S[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(S[5]C[5])(Cl)	Cl(C[5]C[5]S[5])	C[5](C[5]S[5]Cl)(S[5]C[5])(H)	C[5](C[5]S[5]H)(S[5]C[5])(Cl){1|S<1>}	Cl(C[5]C[5]S[5])	C[5](C[5]S[5]Cl)(S[5]C[5])(H){1|S<1>}	125.2700	0.000	1	125.2700	0.000	1	125.2700	0.000	1	124.0535	2.960	2	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:2:1:	C[5]-3:S[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:I-1:	C[5](C[5]S[5]I)(S[5]C[5])(Cl)	Cl(C[5]C[5]S[5])	C[5](C[5]S[5]Cl)(S[5]C[5])(I)	C[5](C[5]S[5]I)(S[5]C[5])(Cl){1|C<3>}	Cl(C[5]C[5]S[5])	C[5](C[5]S[5]Cl)(S[5]C[5])(I){1|C<3>}	122.8370	0.000	1	122.8370	0.000	1	122.8370	0.000	1	124.0535	2.960	2	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:2:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:N-2:	C[5](C[5]S[5]N)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NC)	C[5](C[5]S[5]N)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NC)	118.1340	0.201	2	118.1340	0.040	2	118.7859	1.647	7	118.7859	1.647	7	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:2:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:N-2:	C[5](C[5]S[5]N)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NC[5a])	C[5](C[5]S[5]N)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NC[5a])	118.1230	0.000	1	118.1230	0.000	1	118.7859	1.647	7	118.7859	1.647	7	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:2:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:N-2:	C[5](C[5]S[5]N)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NC[6a])	C[5](C[5]S[5]N)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NC[6a])	117.6580	0.000	1	117.6580	0.000	1	118.7859	1.647	7	118.7859	1.647	7	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:2:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:N-2:	C[5](C[5]S[5]N)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NN)	C[5](C[5]S[5]N)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NN)	119.8173	1.430	3	119.8173	2.044	3	118.7859	1.647	7	118.7859	1.647	7	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:2:3:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(CBrC)	C[5](C[5]S[5]C)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(CBrC)	122.1330	0.000	1	122.1330	0.000	1	120.5640	4.924	2	120.5640	4.924	2	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:2:3:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(CCH)	C[5](C[5]S[5]C)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(CCH)	118.9950	0.000	1	118.9950	0.000	1	120.5640	4.924	2	120.5640	4.924	2	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:2:4:	C[5]-3:Se[5]-2:Cl-1:	C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(Se[5]C[5])(Cl)	Cl(C[5]Se[5]C[5])	C[5](C[5]Se[5]Cl)(N[5]C[5])(CClHH)	C[5](C[5]N[5]C)(Se[5]C[5])(Cl){1|C<3>}	Cl(C[5]Se[5]C[5])	C[5](C[5]Se[5]Cl)(N[5]C[5])(CClHH){1|C<3>}	126.1090	0.085	2	126.1090	0.007	2	126.1090	0.007	2	126.1090	0.007	2	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:3:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)2(NN)	C[5](C[5]C[5]N)(N[5]N[5])(Cl){1|Cl<1>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)2(NN)	126.0720	0.335	2	126.0720	0.112	2	126.0720	0.112	2	123.0817	2.933	10	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:3:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]C[5]S[5])(C[5]N[5]Cl)(S[5]S[5])	C[5](C[5]C[5]S[5])(N[5]S[5])(Cl){1|C<3>,1|S<2>}	Cl(C[5]C[5]N[5])	C[5](C[5]C[5]S[5])(C[5]N[5]Cl)(S[5]S[5]){1|Cl<1>,1|N<2>,1|S<2>}	122.6627	0.389	6	122.6627	0.151	6	122.6627	0.151	6	123.0817	2.933	10	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:3:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5a]S[5])(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]N[5]Cl)(S[5]S[5])	C[5](C[5]C[5a]S[5])(N[5]S[5])(Cl){1|C<3>,1|S<2>}	Cl(C[5]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]N[5]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	121.3485	0.764	2	121.3485	0.584	2	121.3485	0.584	2	123.0817	2.933	10	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:3:3:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]O[5])(Cl)	Cl(C[5]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O)	C[5](C[5]C[6a]N[5])(N[5]O[5])(Cl){1|O<1>,2|C<3>}	Cl(C[5]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O){2|C<3>,2|H<1>}	126.4810	0.000	1	126.4810	0.000	1	126.4810	0.000	1	125.2785	2.892	2	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:2:1:	3:	3:3:3:	C[5]-3:S[5]-2:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(S[5]S[5])(Cl)	Cl(C[5]C[5]S[5])	C[5](C[5]S[5]Cl)(C[5]S[5]S)(NCC)	C[5](C[5]C[5]N)(S[5]S[5])(Cl){1|S<1>}	Cl(C[5]C[5]S[5])	C[5](C[5]S[5]Cl)(C[5]S[5]S)(NCC)	124.0760	0.000	1	124.0760	0.000	1	124.0760	0.000	1	125.2785	2.892	2	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-2:O-1:	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5])(O)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl){1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5])(O){1|Cl<1>,1|O<1>}	122.5500	0.625	2	122.5500	0.391	2	122.5500	0.391	2	120.6495	3.030	23	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|Cl<1>,1|C<3>}	121.9625	0.414	4	122.0494	0.123	9	120.4685	2.917	21	120.6495	3.030	23	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|H<1>,1|S<4>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|Cl<1>,1|H<1>,1|S<4>}	122.1013	0.442	3	122.0494	0.123	9	120.4685	2.917	21	120.6495	3.030	23	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|Cl<1>,1|O<1>}	122.1455	0.142	2	122.0494	0.123	9	120.4685	2.917	21	120.6495	3.030	23	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|O<2>,2|H<1>}	120.0060	0.000	1	120.0060	0.000	1	120.4685	2.917	21	120.6495	3.030	23	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|C<4>,1|H<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|C<4>,1|H<1>,1|N<3>}	119.5865	0.083	2	119.5149	2.483	7	120.4685	2.917	21	120.6495	3.030	23	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<2>}	119.4862	1.928	5	119.5149	2.483	7	120.4685	2.917	21	120.6495	3.030	23	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N[5])(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]N[5])(C[5]O[5]O)(Cl){1|H<1>,1|O<2>,2|C<4>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<2>}	119.1860	0.000	1	119.1860	0.000	1	120.4685	2.917	21	120.6495	3.030	23	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Cl){1|H<1>,1|O<2>,2|C<4>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<2>}	118.5327	0.504	3	118.5327	0.254	3	120.4685	2.917	21	120.6495	3.030	23	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:2:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-2:O-2:	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]O[5])(OC)	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]O[5])(OC){1|O<1>}	131.2550	0.000	1	131.2550	0.000	1	131.2180	0.003	2	131.2180	0.003	2	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:2:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-2:O-2:	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]O[5])(OC[6a])	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]O[5])(OC[6a]){1|O<1>}	131.1810	0.000	1	131.1810	0.000	1	131.2180	0.003	2	131.2180	0.003	2	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]O)(C[5]N[5]C)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5])(CCH)	C[5](C[5]C[5]O)(C[5]N[5]C)(Cl){1|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5])(CCH){1|C<3>,1|O<2>}	124.5010	0.000	1	124.5010	0.000	1	124.5010	0.000	1	125.5530	0.438	5	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(CCC)	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl){1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(CCC){1|Cl<1>,1|O<1>}	125.8010	0.000	1	125.8010	0.000	1	125.8160	0.123	4	125.5530	0.438	5	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(CC[5a]C)	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl){1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(CC[5a]C){1|Cl<1>,1|O<1>}	125.8210	0.430	3	125.8210	0.185	3	125.8160	0.123	4	125.5530	0.438	5	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:4:	C[5,5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl)	Cl(C[5]C[5,5]C[5])	C[5](C[5]C[5,5]Cl)(N[5]C[5,5,6])(CC3)	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	Cl(C[5]C[5,5]C[5])	C[5](C[5]C[5,5]Cl)(N[5]C[5,5,6])(CC3){1|C<3>,2|C<4>}	123.3950	0.000	1	123.3950	0.000	1	123.3950	0.000	1	125.2860	2.686	3	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:2:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3){1|C<4>}	126.2315	0.087	2	126.2315	0.008	2	126.2315	0.008	2	125.2860	2.686	3	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5,5a]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl)	Cl(C[5]C[5,5a]C[5])	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl){1|O<1>,1|O<2>,2|C<3>}	Cl(C[5]C[5,5a]C[5])	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl){2|C<3>}	128.4760	0.000	1	128.4760	0.000	1	128.4760	0.000	1	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5,5a]-3:C[5]-3:Cl-1:	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl){2|C<3>}	Cl(C[5]C[5]2)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl){1|O<1>,1|O<2>,2|C<3>}	128.0810	0.000	1	128.0810	0.000	1	128.0810	0.000	1	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(Cl)	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl){2|Cl<1>,2|N<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(Cl){1|Cl<1>,1|C<3>}	124.2753	0.517	6	124.2753	0.268	6	126.2126	5.714	46	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]N[5]C)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(Cl)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(Cl){1|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(Cl){1|C<3>}	124.5957	0.245	4	124.5957	0.060	4	126.2126	5.714	46	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl){1|H<1>,1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl){1|H<1>,1|O<1>}	128.8778	0.575	6	129.2877	0.824	8	126.2126	5.714	46	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl){1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl){1|O<1>}	130.5175	0.284	2	129.2877	0.824	8	126.2126	5.714	46	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl){1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|C<3>}	126.0108	0.373	4	126.0108	0.139	4	126.2126	5.714	46	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl){1|O<1>}	129.0967	0.456	4	129.0967	0.208	4	126.2126	5.714	46	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|O<1>}	129.6440	0.182	2	129.6440	0.033	2	126.2126	5.714	46	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl)	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl){1|Cl<1>,2|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl){1|Cl<1>,2|O<1>}	121.1265	0.583	2	121.1265	0.340	2	126.2126	5.714	46	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl)	C[5](C[5]C[5]Cl)2(Cl){1|Cl<1>,1|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl){2|Cl<1>,2|N<3>}	125.8692	0.280	6	125.8692	0.079	6	126.2126	5.714	46	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(Cl)	C[5](C[5]C[5]Cl)2(Cl){1|Cl<1>,1|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(Cl){1|Cl<1>,1|C<3>}	126.0248	0.376	6	125.0256	1.765	10	126.2126	5.714	46	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(Cl)	C[5](C[5]C[5]Cl)2(Cl){3|Cl<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(Cl){3|Cl<1>}	123.5268	0.255	4	125.0256	1.765	10	126.2126	5.714	46	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(Cl){1|N<3>,2|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(H){1|C<3>}	125.4980	0.000	1	125.4980	0.000	1	125.4980	0.000	1	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]S)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]S)(Cl){2|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(O){1|C<3>,1|S<2>}	121.8210	0.000	1	121.8210	0.000	1	121.8210	0.000	1	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6]N[5])(C[5]N[5]H)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]C)(H)	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>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]C)(H){1|C<3>,1|V<6>}	125.1170	0.000	1	125.1170	0.000	1	126.7409	0.592	13	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(H)	C[5](C[5]N[5]H)2(Cl){1|Fe<5>,1|Fe<6>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(H){1|Fe<5>,1|H<1>}	127.1625	0.541	6	126.8763	0.386	12	126.7409	0.592	13	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(H)	C[5](C[5]N[5]H)2(Cl){1|Fe<5>,1|Fe<6>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(H){1|Fe<6>,1|H<1>}	126.5900	0.600	6	126.8763	0.386	12	126.7409	0.592	13	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl){1|C<4>,1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	120.3040	0.000	1	120.3040	0.000	1	121.3876	1.985	12	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5]H)(O)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl){1|H<1>,1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5]H)(O){1|Cl<1>,1|O<1>}	122.5910	0.558	6	122.5910	0.311	6	121.3876	1.985	12	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]S)(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	C[5](C[5]C[5]S)(C[5]N[5]O)(Cl){1|C<4>,1|H<1>,1|O<2>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|H<1>,1|O<2>,1|S<2>}	120.4887	0.796	3	120.4887	0.633	3	121.3876	1.985	12	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<2>}	120.3020	0.000	1	120.3020	0.000	1	121.3876	1.985	12	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<2>}	119.0330	0.000	1	119.0330	0.000	1	121.3876	1.985	12	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl)	Cl(C[5]C[5]2)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O)	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl){1|P<4>,2|C<3>}	Cl(C[5]C[5]2)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O){1|Cl<1>,1|P<4>,3|C<3>}	122.0875	0.035	2	122.0875	0.001	2	122.0875	0.001	2	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl)	Cl(C[5]C[5]2)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O)	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl){2|C<3>}	Cl(C[5]C[5]2)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O){1|Cl<1>,3|C<3>}	122.3800	0.000	1	122.3800	0.000	1	122.3800	0.000	1	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<3>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<3>,1|C<4>}	129.5685	0.111	2	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<4>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<4>,1|C<4>}	129.5395	0.825	6	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|C<4>,1|H<1>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|C<4>,1|H<1>}	130.2965	0.407	2	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<4>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<4>,1|C<4>}	129.3600	0.424	2	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<6>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<6>,1|C<4>}	129.8215	2.259	2	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	129.1767	0.462	8	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<9>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<9>,1|C<4>}	129.1532	1.393	4	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	128.9193	0.698	10	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pt<5>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pt<5>,1|C<4>}	128.2590	0.239	2	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<4>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<4>,1|C<4>}	129.2270	0.126	2	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	129.5611	0.492	8	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	129.6999	1.006	16	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<6>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<6>,1|C<4>}	128.2480	0.112	2	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<9>,1|C<4>}	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<9>,1|C<4>}	129.8360	1.245	2	129.3732	0.768	68	129.3732	0.768	68	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Cu<2>,3|C<3>}	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Cu<2>,3|C<3>}	130.3950	0.805	2	129.6754	0.554	19	129.6754	0.554	19	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Fe<4>,3|C<3>}	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Fe<4>,3|C<3>}	129.1037	0.579	6	129.6754	0.554	19	129.6754	0.554	19	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|H<1>,3|C<3>}	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|H<1>,3|C<3>}	130.3015	0.971	2	129.6754	0.554	19	129.6754	0.554	19	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|P<2>,3|C<3>}	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|P<2>,3|C<3>}	129.4775	0.336	2	129.6754	0.554	19	129.6754	0.554	19	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|P<3>,3|C<3>}	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|P<3>,3|C<3>}	129.6950	0.731	4	129.6754	0.554	19	129.6754	0.554	19	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Se<1>,3|C<3>}	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Se<1>,3|C<3>}	130.4260	0.000	1	129.6754	0.554	19	129.6754	0.554	19	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|U<6>,3|C<3>}	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|U<6>,3|C<3>}	129.8285	0.718	2	129.6754	0.554	19	129.6754	0.554	19	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]Cl)(H)	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(Cl){3|C<3>}	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]Cl)(H){3|C<3>}	131.4760	0.000	1	131.4760	0.000	1	131.4760	0.000	1	127.5493	8.157	166	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:2:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]Cl)(C[5]N[5]C)(Cl)	Cl(C[5]C[5]2)	C[5](CC[5a]C[6a])(C[5]C[5]Cl)(N[5]C[5])	C[5](C[5]C[5]Cl)(C[5]N[5]C)(Cl){1|C<3>}	Cl(C[5]C[5]2)	C[5](CC[5a]C[6a])(C[5]C[5]Cl)(N[5]C[5]){1|Cl<1>,1|C<3>}	128.0525	0.351	4	128.0525	0.123	4	128.0525	0.123	4	127.0956	9.559	11	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:2:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(C[5]C[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]Cl)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]O)(Cl){1|N<2>,2|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]Cl)(N[5]C[5]){1|Cl<1>,1|O<2>,3|C<3>}	130.7500	0.921	2	130.7500	0.848	2	130.7500	0.848	2	127.0956	9.559	11	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:2:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]N[5])(C[5]C[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(OC)	C[5](C[5]C[5]N[5])(C[5]C[5]O)(Cl){1|N<2>,2|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(OC){1|C<3>}	121.6755	0.667	2	121.6755	0.445	2	123.1670	6.896	3	127.0956	9.559	11	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:2:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]N[5]C)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5a]N[5])(C[5]C[5]Cl)(OC)	C[5](C[5]C[5]O)(C[5]N[5]C)(Cl){1|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5a]N[5])(C[5]C[5]Cl)(OC){1|N<3>,2|C<3>}	126.1500	0.000	1	126.1500	0.000	1	123.1670	6.896	3	127.0956	9.559	11	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:2:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(Cl)	Cl(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Cl)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(Cl){1|N<3>,2|C<3>}	Cl(C[5]C[5]2)	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>}	126.0620	0.000	1	126.0620	0.000	1	126.0620	0.000	1	127.0956	9.559	11	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:2:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]O)(C[5]N[5]S)(Cl)	Cl(C[5]C[5]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]Cl)(SC)	C[5](C[5]C[5]O)(C[5]N[5]S)(Cl){2|C<3>}	Cl(C[5]C[5]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]Cl)(SC){1|O<1>,3|C<3>}	128.7790	0.000	1	128.7790	0.000	1	128.7790	0.000	1	127.0956	9.559	11	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN)	C[5](C[5]C[5,6a]C)2(Cl){2|C<3>}	Cl(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN){1|H<1>,3|C<3>}	123.6085	0.169	2	123.6085	0.029	2	123.6085	0.029	2	125.2404	2.388	15	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:B-3:	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(BC[6a]2)	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl){1|Cl<1>,1|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(BC[6a]2){2|C<3>}	125.2455	0.535	2	125.2455	0.287	2	125.2455	0.287	2	125.2404	2.388	15	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl){1|Cl<1>,1|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(CCH){1|Cl<1>,1|B<3>}	122.9955	0.606	2	122.9955	0.367	2	123.8837	1.355	4	125.2404	2.388	15	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)2(Cl){2|C<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(COO){2|C<3>}	124.7720	0.735	2	124.7720	0.541	2	123.8837	1.355	4	125.2404	2.388	15	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(C[5]N[5]2)	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl){2|Cl<1>,2|N<3>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(C[5]N[5]2){2|Cl<1>,4|C<3>}	126.1455	0.422	6	126.1455	0.178	6	126.1455	0.178	6	125.2404	2.388	15	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[6]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6]N[5])(C[5]N[5]H)(Cl)	Cl(C[5]C[5]2)	C[5](C[6]C[6]N[6])(C[5]C[5]Cl)(N[5]N[5]V)	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>}	Cl(C[5]C[5]2)	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>}	128.4900	0.000	1	128.4900	0.000	1	128.4900	0.000	1	125.2404	2.388	15	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl){1|C<4>,1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	129.3510	0.000	1	129.3510	0.000	1	129.3510	0.000	1	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(Cl){1|B<4>,1|W<7>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	124.3300	0.000	1	125.9876	0.795	8	126.0388	0.552	21	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Ni<6>,1|B<4>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	125.9072	0.238	5	125.9876	0.795	8	126.0388	0.552	21	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Rh<4>,1|B<4>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<4>}	127.0175	0.661	2	125.9876	0.795	8	126.0388	0.552	21	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Fe<5>,1|C<4>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	125.5660	0.000	1	125.5660	0.000	1	126.0388	0.552	21	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Fe<5>,1|C<4>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3){2|C<4>}	126.0270	0.000	1	125.8000	0.103	2	126.0388	0.552	21	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Fe<6>,1|H<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3){1|C<4>,1|H<1>}	125.5730	0.000	1	125.8000	0.103	2	126.0388	0.552	21	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Fe<6>,1|H<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	125.9790	0.000	1	125.9790	0.000	1	126.0388	0.552	21	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Ni)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Ni<6>,1|B<4>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Ni)(CH3){1|B<4>,1|C<4>}	126.3053	0.352	6	126.3053	0.124	6	126.0388	0.552	21	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Rh)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Rh<4>,1|B<4>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]Rh)(CH3){1|B<4>,1|C<4>}	125.2180	0.692	2	125.2180	0.478	2	126.0388	0.552	21	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(Cl){1|B<4>,1|W<7>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	127.5010	0.000	1	127.5010	0.000	1	126.0388	0.552	21	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	N[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl){1|Cl<1>,3|C<3>}	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C){1|Cl<1>,3|C<3>}	130.8840	0.000	1	130.4340	0.405	2	130.9910	1.133	3	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	N[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl){1|Rh<6>,3|C<3>}	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C){1|Rh<6>,3|C<3>}	129.9840	0.000	1	130.4340	0.405	2	130.9910	1.133	3	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:3:4:	N[5]-3:C[5]-3:Cl-1:	C[5]-3:	N[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2F)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl){1|Cl<1>,3|C<3>}	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2F){1|Cl<1>,3|C<3>}	132.1050	0.000	1	132.1050	0.000	1	130.9910	1.133	3	126.7656	3.527	25	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:4:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	Cl(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	128.4020	0.000	1	128.4020	0.000	1	128.4020	0.000	1	128.9965	0.707	2	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	3:4:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Cl(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	129.5910	0.000	1	129.5910	0.000	1	129.5910	0.000	1	128.9965	0.707	2	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:1:	C[5,5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl)	Cl(C[5]C[5,5]C[5])	C[5](C[5]C[5,5]CC)(C[5]C[5,5]Cl)(O)	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl){1|H<1>,6|C<4>}	Cl(C[5]C[5,5]C[5])	C[5](C[5]C[5,5]CC)(C[5]C[5,5]Cl)(O){1|H<1>,2|C<4>}	118.8660	0.000	1	118.8660	0.000	1	118.8660	0.000	1	126.1232	9.065	16	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:1:	C[5,6]-3:C[5]-3:Cl-1:	C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl)	Cl(C[5]C[5,6]C[5])	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]Cl)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl){2|C<3>,2|C<4>,3|H<1>}	Cl(C[5]C[5,6]C[5])	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]Cl)(O){2|C<3>,2|C<4>,2|H<1>}	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	126.1232	9.065	16	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5,5,6]-4:C[5]-3:Cl-1:	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl){2|Cl<1>,2|C<4>}	Cl(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	126.1080	0.000	1	126.1080	0.000	1	126.1080	0.000	1	126.1232	9.065	16	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(O)	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl){2|Cl<1>,2|C<4>}	Cl(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(O){2|Cl<1>,1|H<1>,3|C<4>}	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	126.1232	9.065	16	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5,5]-4:C[5]-3:Cl-1:	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl){1|P<4>,2|C<3>}	Cl(C[5]C[5]2)	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl){2|C<3>,2|O<1>}	127.1920	0.233	2	127.1920	0.054	2	127.1920	0.054	2	126.1232	9.065	16	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|H<1>,1|S<4>}	Cl(C[5]C[5]2)	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl){1|O<1>}	128.8183	0.726	3	128.8183	0.527	3	127.9049	0.918	7	126.1232	9.065	16	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)2(Cl){3|Cl<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl){2|Cl<1>}	127.2198	0.154	4	127.2198	0.024	4	127.9049	0.918	7	126.1232	9.065	16	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	Cl(C[5]C[5]2)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(H){1|O<1>}	129.6850	0.000	1	129.6850	0.000	1	129.6850	0.000	1	126.1232	9.065	16	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	S[5]-4:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl)	Cl(C[5]C[5]2)	C[5](S[5]C[5]OO)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl){1|Cl<1>,2|O<1>}	Cl(C[5]C[5]2)	C[5](S[5]C[5]OO)(C[5]C[5]Cl)(Cl){2|Cl<1>}	124.9430	0.362	2	124.9430	0.131	2	124.9430	0.131	2	126.1232	9.065	16	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:2:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:S-2:	C[5](C[5]C[5]S)(C[5]N[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]N[5]HO)(C[5]C[5]Cl)(SC[6a])	C[5](C[5]C[5]S)(C[5]N[5]O)(Cl){1|C<4>,1|H<1>,1|O<2>}	Cl(C[5]C[5]2)	C[5](C[5]N[5]HO)(C[5]C[5]Cl)(SC[6a]){1|C<4>,1|O<1>}	128.8153	0.577	3	128.8153	0.333	3	128.8153	0.333	3	128.8153	0.333	3	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:3:	C[5,6a]-3:C[5]-3:Cl-1:	C[5]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Cl)	Cl(C[5]C[5,6a]C[5])	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cl)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Cl){1|H<1>,6|C<3>}	Cl(C[5]C[5,6a]C[5])	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cl)(C[6a]C[6a]2){2|H<1>,8|C<3>}	123.4630	0.000	1	123.4630	0.000	1	123.4630	0.000	1	130.1236	5.966	12	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|C<4>,1|H<1>}	Cl(C[5]C[5]2)	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H){1|O<1>}	130.8350	0.308	2	130.8350	0.095	2	130.6227	2.779	7	130.1236	5.966	12	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	Cl(C[5]C[5]2)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC){1|O<1>}	131.6710	0.338	2	131.6710	0.114	2	130.6227	2.779	7	130.1236	5.966	12	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	Cl(C[5]C[5]2)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH){1|O<1>}	129.7823	2.455	3	129.7823	6.028	3	130.6227	2.779	7	130.1236	5.966	12	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]O[5]O)(Cl){1|H<1>,1|O<2>,2|C<4>}	Cl(C[5]C[5]2)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2){1|O<1>,2|C<3>,4|H<1>}	130.6680	0.000	1	130.6680	0.000	1	130.6680	0.000	1	130.1236	5.966	12	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:3:1:	3:	4:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:N[6]-3:	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2)	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Cl){1|H<1>,1|O<2>,2|C<4>}	Cl(C[5]C[5]2)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2){1|O<1>,2|C<4>,4|H<1>}	130.9977	0.360	3	130.9977	0.130	3	130.9977	0.130	3	130.1236	5.966	12	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	3:4:1:	3:	4:3:1:	C[5]-3:C[5]-4:Cl-1:	C[5]-3:	C[5,6]-4:C[5]-3:I-1:	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl)	Cl(C[5]C[5]2)	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]Cl)(I)	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl){1|C<3>,1|O<2>}	Cl(C[5]C[5]2)	C[5](C[5,6]C[6,6a]O[5]O[6])(C[5]C[5]Cl)(I){2|C<4>,3|C<3>}	127.0950	0.000	1	127.0950	0.000	1	127.0950	0.000	1	127.0950	0.000	1	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	3:3:1:	C[5,5,6]-4:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(Cl)	Cl(C[5]C[5,5,6]C[5])	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl)	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	Cl(C[5]C[5,5,6]C[5])	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl){2|Cl<1>,2|C<4>}	125.2200	0.000	1	125.2200	0.000	1	125.2200	0.000	1	128.3857	2.786	13	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	3:3:1:	C[5,5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl)	Cl(C[5]C[5,5]C[5])	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl)	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl){2|C<3>,2|O<1>}	Cl(C[5]C[5,5]C[5])	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl){1|P<4>,2|C<3>}	126.8410	0.154	2	126.8410	0.024	2	126.8410	0.024	2	128.3857	2.786	13	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	3:3:1:	C[5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(Cl)	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl){2|Cl<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)2(Cl){3|Cl<1>}	128.4153	0.390	4	128.4153	0.152	4	128.2823	0.173	7	128.3857	2.786	13	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	3:3:1:	C[5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl){1|O<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|H<1>,1|S<4>}	128.1050	0.456	3	128.1050	0.208	3	128.2823	0.173	7	128.3857	2.786	13	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	3:3:1:	S[5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](S[5]C[5]OO)(C[5]C[5]Cl)(Cl)	Cl(C[5]C[5]S[5])	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl)	C[5](S[5]C[5]OO)(C[5]C[5]Cl)(Cl){2|Cl<1>}	Cl(C[5]C[5]S[5])	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl){1|Cl<1>,2|O<1>}	130.3805	0.776	2	130.3805	0.602	2	130.3805	0.602	2	128.3857	2.786	13	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	3:3:1:	S[5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](S[5]C[5]OO)(C[5]C[5]H)(Cl)	Cl(C[5]C[5]S[5])	C[5](C[5]S[5]Cl)(C[5]C[5]H)(H)	C[5](S[5]C[5]OO)(C[5]C[5]H)(Cl){1|Cl<1>,1|H<1>}	Cl(C[5]C[5]S[5])	C[5](C[5]S[5]Cl)(C[5]C[5]H)(H){1|Cl<1>,2|O<1>}	131.3750	0.000	1	131.3750	0.000	1	131.3750	0.000	1	128.3857	2.786	13	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	4:3:1:	C[4,5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:Cl-1:	C[5](C[4,5]C[4,4]C[4,5]O)(C[5]C[5]Cl)(Cl)	Cl(C[5]C[4,5]C[5])	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl)	C[5](C[4,5]C[4,4]C[4,5]O)(C[5]C[5]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	Cl(C[5]C[4,5]C[5])	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl){1|H<1>,1|O<2>,2|C<4>}	125.5630	0.000	1	125.5630	0.000	1	125.5630	0.000	1	126.7125	0.348	31	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	4:3:1:	C[5,5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5,5]-4:C[5]-3:Cl-1:	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl)	Cl(C[5]C[5,5]C[5])	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl)	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl){1|Br<1>,1|Cl<1>,1|C<4>,2|C<3>}	Cl(C[5]C[5,5]C[5])	C[5](C[5,5]N[3x5]C[5]Br)(C[5]C[5,5]Cl)(Cl){1|Br<1>,1|Cl<1>,1|C<4>,2|C<3>}	126.8337	0.693	12	126.8337	0.480	12	126.7981	0.254	29	126.7125	0.348	31	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	4:3:1:	C[5,5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5,5]-4:C[5]-3:Cl-1:	C[5](C[5,5]N[3x5]C[5]Cl)(C[5]C[5,5]Cl)(Cl)	Cl(C[5]C[5,5]C[5])	C[5](C[5,5]N[3x5]C[5]Cl)(C[5]C[5,5]Cl)(Cl)	C[5](C[5,5]N[3x5]C[5]Cl)(C[5]C[5,5]Cl)(Cl){2|Cl<1>,1|C<4>,2|C<3>}	Cl(C[5]C[5,5]C[5])	C[5](C[5,5]N[3x5]C[5]Cl)(C[5]C[5,5]Cl)(Cl){2|Cl<1>,1|C<4>,2|C<3>}	126.8892	0.291	11	126.8892	0.085	11	126.7981	0.254	29	126.7125	0.348	31	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	4:3:1:	C[5,5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5,5]-4:C[5]-3:Cl-1:	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl)	Cl(C[5]C[5,5]C[5])	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	Cl(C[5]C[5,5]C[5])	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	126.5602	0.327	6	126.5602	0.107	6	126.7981	0.254	29	126.7125	0.348	31	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	4:3:1:	C[5]-4:C[5]-3:Cl-1:	C[5]-3:	C[4,5]-4:C[5]-3:Cl-1:	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl)	Cl(C[5]C[5]2)	C[5](C[4,5]C[4,4]C[4,5]O)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl){1|H<1>,1|O<2>,2|C<4>}	Cl(C[5]C[5]2)	C[5](C[4,5]C[4,4]C[4,5]O)(C[5]C[5]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	125.3780	0.000	1	125.3780	0.000	1	125.3780	0.000	1	126.7125	0.348	31	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	4:3:2:	C[5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5,5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(Cl)	Cl(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5]Cl)(C[5]C[5]Cl)(OC)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(Cl){1|Cl<1>,1|H<1>,2|C<4>}	Cl(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5]Cl)(C[5]C[5]Cl)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	127.2390	0.000	1	127.2390	0.000	1	127.2390	0.000	1	127.2390	0.000	1	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	4:3:3:	C[5,6]-4:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl)	Cl(C[5]C[5,6]C[5])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Cl)(CHO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl){2|C<4>,5|H<1>}	Cl(C[5]C[5,6]C[5])	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Cl)(CHO){1|H<1>,3|C<4>}	126.4210	0.411	7	126.4210	0.169	7	126.4210	0.169	7	126.2219	0.462	8	126.5177	10.637	362	126.7807	9.153	444
818	790	818	0:SP2_SP-NON_SP2	C[5]	Cl	C[5]	4:3:1:	3:	4:3:3:	C[5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(Cl)	Cl(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(Cl){4|H<1>}	Cl(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(CCH){4|H<1>}	124.8280	0.000	1	124.8280	0.000	1	124.8280	0.000	1	126.2219	0.462	8	126.5177	10.637	362	126.7807	9.153	444
818	790	846	0:SP2_SP-NON_SP2	C[5]	Cl	C[4,5]	3:3:1:	3:	4:3:3:	C[5,6a]-3:C[4,5]-3:Cl-1:	C[5]-3:	C[4,5]-4:C[4,5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2)(Cl)	Cl(C[5]C[5,6a]C[4,5])	C[4,5](C[4,5]C[5,6a]C[5,6]C[4])(C[4,5]C[5,6a]C[4])(C[5]C[5,6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2)(Cl){1|C<4>,1|H<1>,4|C<3>}	Cl(C[5]C[5,6a]C[4,5])	C[4,5](C[4,5]C[5,6a]C[5,6]C[4])(C[4,5]C[5,6a]C[4])(C[5]C[5,6a]Cl){2|C<4>,6|C<3>}	130.1660	0.752	2	130.1660	0.566	2	130.1660	0.566	2	130.1660	0.566	2	130.1660	0.566	2	130.1660	0.566	2
818	790	891	0:SP2_SP-NON_SP2	C[5]	Cl	S[5]	3:2:1:	3:	3:2:	C[5]-3:S[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5]C[5]N)(S[5]S[5])(Cl)	Cl(C[5]C[5]S[5])	S[5](C[5]C[5]Cl)(S[5]C[5])	C[5](C[5]C[5]N)(S[5]S[5])(Cl){1|S<1>}	Cl(C[5]C[5]S[5])	S[5](C[5]C[5]Cl)(S[5]C[5]){1|N<3>,1|S<1>}	116.5170	0.000	1	116.5170	0.000	1	116.5170	0.000	1	116.5170	0.000	1	118.1568	3.467	4	118.1568	3.467	4
818	790	891	0:SP2_SP-NON_SP2	C[5]	Cl	S[5]	3:2:1:	3:	3:3:	C[5]-3:S[5]-2:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5]S[5]H)(S[5]C[5])(Cl)	Cl(C[5]C[5]S[5])	S[5](C[5]C[5]Cl)(C[5]S[5]S)	C[5](C[5]S[5]H)(S[5]C[5])(Cl){1|S<1>}	Cl(C[5]C[5]S[5])	S[5](C[5]C[5]Cl)(C[5]S[5]S){1|H<1>}	117.2380	0.000	1	117.2380	0.000	1	117.6665	0.367	2	118.7033	3.409	3	118.1568	3.467	4	118.1568	3.467	4
818	790	891	0:SP2_SP-NON_SP2	C[5]	Cl	S[5]	3:2:1:	3:	3:3:	C[5]-3:S[5]-2:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5]S[5]I)(S[5]C[5])(Cl)	Cl(C[5]C[5]S[5])	S[5](C[5]C[5]S[5])(C[5]C[5]Cl)	C[5](C[5]S[5]I)(S[5]C[5])(Cl){1|C<3>}	Cl(C[5]C[5]S[5])	S[5](C[5]C[5]S[5])(C[5]C[5]Cl){2|Se<2>,1|I<1>}	118.0950	0.000	1	118.0950	0.000	1	117.6665	0.367	2	118.7033	3.409	3	118.1568	3.467	4	118.1568	3.467	4
818	790	891	0:SP2_SP-NON_SP2	C[5]	Cl	S[5]	3:2:1:	3:	3:3:	N[5]-3:S[5]-2:Cl-1:	C[5]-3:	C[5,6]-3:C[5]-3:	C[5](N[5]C[5,6]C)(S[5]C[5,6])(Cl)	Cl(C[5]N[5]S[5])	S[5](C[5,6]C[5,6]C[6])(C[5]N[5]Cl)	C[5](N[5]C[5,6]C)(S[5]C[5,6])(Cl){1|C<2>,1|C<3>}	Cl(C[5]N[5]S[5])	S[5](C[5,6]C[5,6]C[6])(C[5]N[5]Cl){1|C<4>,2|C<3>}	120.7770	0.000	1	120.7770	0.000	1	120.7770	0.000	1	118.7033	3.409	3	118.1568	3.467	4	118.1568	3.467	4
818	790	959	0:SP2_SP-NON_SP3	C[5]	Cl	S[5]	4:3:1:	3:	3:3:1:1:	S[5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:O-1:O-1:	C[5](S[5]C[5]OO)(C[5]C[5]Cl)(Cl)	Cl(C[5]C[5]S[5])	S[5](C[5]C[5]Cl)2(O)2	C[5](S[5]C[5]OO)(C[5]C[5]Cl)(Cl){2|Cl<1>}	Cl(C[5]C[5]S[5])	S[5](C[5]C[5]Cl)2(O)2{2|Cl<1>}	119.5375	0.387	2	119.5375	0.150	2	118.9383	1.152	3	118.9383	1.152	3	118.9383	1.152	3	118.9383	1.152	3
818	790	959	0:SP2_SP-NON_SP3	C[5]	Cl	S[5]	4:3:1:	3:	3:3:1:1:	S[5]-4:C[5]-3:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:O-1:O-1:	C[5](S[5]C[5]OO)(C[5]C[5]H)(Cl)	Cl(C[5]C[5]S[5])	S[5](C[5]C[5]Cl)2(O)2	C[5](S[5]C[5]OO)(C[5]C[5]H)(Cl){1|Cl<1>,1|H<1>}	Cl(C[5]C[5]S[5])	S[5](C[5]C[5]Cl)2(O)2{2|H<1>}	117.7400	0.000	1	117.7400	0.000	1	118.9383	1.152	3	118.9383	1.152	3	118.9383	1.152	3	118.9383	1.152	3
818	790	960	0:SP2_SP-NON_SP2	C[5]	Cl	N[5]	2:2:1:	3:	3:2:	N[5]-2:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:	C[5](N[5]S[5])2(Cl)	Cl(C[5]N[5]2)	N[5](C[5]N[5]Cl)(S[5]S[5])	C[5](N[5]S[5])2(Cl)	Cl(C[5]N[5]2)	N[5](C[5]N[5]Cl)(S[5]S[5])	117.1910	0.665	34	117.1910	0.442	34	117.1910	0.442	34	117.1910	0.442	34	117.8744	4.466	60	117.8744	4.466	60
818	790	960	0:SP2_SP-NON_SP2	C[5]	Cl	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:N[5]-2:	C[5](C[5]C[5]N)(N[5]N[5])(Cl)	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(N[5]C[5])	C[5](C[5]C[5]N)(N[5]N[5])(Cl){1|Cl<1>}	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(N[5]C[5]){1|Cl<1>,1|N<2>}	123.7830	0.264	2	123.7830	0.070	2	123.7830	0.070	2	117.9381	7.378	20	117.8744	4.466	60	117.8744	4.466	60
818	790	960	0:SP2_SP-NON_SP2	C[5]	Cl	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[6a]N[5])(N[5]O[5])(Cl)	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(O[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]O[5])(Cl){1|O<1>,2|C<3>}	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(O[5]N[5]){1|C<3>,1|O<1>}	119.6970	0.000	1	119.6970	0.000	1	119.6970	0.000	1	117.9381	7.378	20	117.8744	4.466	60	117.8744	4.466	60
818	790	960	0:SP2_SP-NON_SP2	C[5]	Cl	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(S[5]S[5])	C[5](C[5]C[5]S[5])(N[5]S[5])(Cl){1|C<3>,1|S<2>}	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(S[5]S[5]){1|C<3>}	115.1763	0.401	6	115.1763	0.161	6	117.1469	3.628	17	117.9381	7.378	20	117.8744	4.466	60	117.8744	4.466	60
818	790	960	0:SP2_SP-NON_SP2	C[5]	Cl	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5]C[5a]S[5])(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(S[5]S[5])	C[5](C[5]C[5a]S[5])(N[5]S[5])(Cl){1|C<3>,1|S<2>}	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(S[5]S[5]){1|C<3>}	116.2795	1.415	2	116.2795	2.002	2	117.1469	3.628	17	117.9381	7.378	20	117.8744	4.466	60	117.8744	4.466	60
818	790	960	0:SP2_SP-NON_SP2	C[5]	Cl	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5]S[5]C)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(S[5]S[5])	C[5](C[5]S[5]C)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(S[5]S[5]){1|C<3>}	117.8085	1.324	2	117.8085	1.754	2	117.1469	3.628	17	117.9381	7.378	20	117.8744	4.466	60	117.8744	4.466	60
818	790	960	0:SP2_SP-NON_SP2	C[5]	Cl	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5]S[5]N)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(S[5]S[5])	C[5](C[5]S[5]N)(N[5]S[5])(Cl)	Cl(C[5]C[5]N[5])	N[5](C[5]C[5]Cl)(S[5]S[5]){1|N<2>}	118.8949	1.035	7	118.8949	1.070	7	117.1469	3.628	17	117.9381	7.378	20	117.8744	4.466	60	117.8744	4.466	60
818	790	960	0:SP2_SP-NON_SP2	C[5]	Cl	N[5]	3:2:1:	3:	3:3:	C[5,6a]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)	Cl(C[5]C[5,6a]N[5])	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>}	Cl(C[5]C[5,6a]N[5])	N[5](C[5]C[5,6a]Cl)(C[5]C[5,6a]C){2|C<3>}	120.9485	0.070	2	120.9485	0.005	2	120.9485	0.005	2	121.8220	2.291	3	117.8744	4.466	60	117.8744	4.466	60
818	790	960	0:SP2_SP-NON_SP2	C[5]	Cl	N[5]	3:2:1:	3:	3:3:	N[5]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]N[5])(N[5]N[5])(Cl)	Cl(C[5]N[5]2)	N[5](C[5]N[5]Cl)(N[5]N[5]O)	C[5](N[5]C[6a]N[5])(N[5]N[5])(Cl){1|O<1>,2|C<3>}	Cl(C[5]N[5]2)	N[5](C[5]N[5]Cl)(N[5]N[5]O){1|C<3>}	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	121.8220	2.291	3	117.8744	4.466	60	117.8744	4.466	60
818	790	960	0:SP2_SP-NON_SP2	C[5]	Cl	N[5]	3:2:1:	3:	4:3:	C[5,6a]-3:N[5]-2:Cl-1:	C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)	Cl(C[5]C[5,6a]N[5])	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>}	Cl(C[5]C[5,6a]N[5])	N[5](C[5]C[5,6a]Cl2)(C[5]C[5,6a]Cl){2|C<3>}	122.3330	0.462	2	122.3330	0.214	2	122.3330	0.214	2	122.3330	0.214	2	117.8744	4.466	60	117.8744	4.466	60
818	790	960	0:SP2_SP-NON_SP2	C[5]	Cl	N[5]	4:2:1:	3:	3:2:	C[4,5]-4:N[5]-2:Cl-1:	C[5]-3:	C[5]-3:S[5]-2:	C[5](C[4,5]C[4]N[4]S[5])(N[5]S[5])(Cl)	Cl(C[5]C[4,5]N[5])	N[5](C[5]C[4,5]Cl)(S[5]S[5])	C[5](C[4,5]C[4]N[4]S[5])(N[5]S[5])(Cl){1|Cl<1>,3|C<3>}	Cl(C[5]C[4,5]N[5])	N[5](C[5]C[4,5]Cl)(S[5]S[5]){1|C<4>,1|N<3>}	119.0760	0.000	1	119.0760	0.000	1	119.0760	0.000	1	119.0760	0.000	1	117.8744	4.466	60	117.8744	4.466	60
818	790	997	0:SP2_SP-NON_SP3	C[5]	Cl	Se[5]	3:2:1:	3:	3:3:	C[5]-3:Se[5]-2:Cl-1:	C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5]N[5]C)(Se[5]C[5])(Cl)	Cl(C[5]Se[5]C[5])	Se[5](C[5]C[6a]N[5])(C[5]C[5]Cl)	C[5](C[5]N[5]C)(Se[5]C[5])(Cl){1|C<3>}	Cl(C[5]Se[5]C[5])	Se[5](C[5]C[6a]N[5])(C[5]C[5]Cl){1|C<4>,2|C<3>}	121.8205	0.384	2	121.8205	0.147	2	121.8205	0.147	2	121.8205	0.147	2	121.8205	0.147	2	121.8205	0.147	2
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	3:3:2:	3:3:3:	3:2:1:	N[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[5a]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5a]C[5a]2)(C[5]S[5]H)(N[5]S[5])	N[5a](C[5a]S[5a]C[4])(C[5]C[5]N[5])(C[5a]N[5a]C)	C[5](C[5]N[5a]N[5])(S[5]S[5])(H)	C[5](N[5a]C[5a]2)(C[5]S[5]H)(N[5]S[5]){1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a]S[5a]C[4])(C[5]C[5]N[5])(C[5a]N[5a]C){1|H<1>,4|S<2>}	C[5](C[5]N[5a]N[5])(S[5]S[5])(H){2|C<3>}	124.2250	0.000	1	124.2250	0.000	1	124.2250	0.000	1	124.2250	0.000	1	127.7606	6.288	21	127.7606	6.288	21
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	N[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5a]C[5a]2)(C[5]C[5]H)(N[5]C[5])	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2	C[5](C[5]N[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5a]C[5a]2)(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2{2|H<1>,3|C<3>}	C[5](C[5]N[5a]N[5])(C[5]C[5]H)(H){3|C<3>}	126.9740	0.000	1	126.9740	0.000	1	126.9740	0.000	1	126.9740	0.000	1	127.7606	6.288	21	127.7606	6.288	21
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C-3:C[5]-3:	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5])	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H)	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H){1|H<1>,2|C<3>}	128.2650	0.000	1	128.2650	0.000	1	128.2650	0.000	1	126.5863	2.509	4	127.7606	6.288	21	127.7606	6.288	21
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[5]-3:N[5]-2:	C[5a,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C-3:C[5]-3:	C[5](N[5a]C[5a,5a]C[5a])(C[5]C[5]C)(N[5]C[5])	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C)	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H)	C[5](N[5a]C[5a,5a]C[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C){1|H<1>,6|C<3>}	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H){3|C<3>}	125.2610	0.502	2	125.2610	0.252	2	125.2610	0.252	2	126.5863	2.509	4	127.7606	6.288	21	127.7606	6.288	21
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C-3:C[5]-3:	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5])	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5](C[5]N[5a]N[5])(CC[6a]C[5])(C[5]C[5]H)	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[5](C[5]N[5a]N[5])(CC[6a]C[5])(C[5]C[5]H){1|H<1>,2|C<3>}	127.5580	0.000	1	127.5580	0.000	1	127.5580	0.000	1	126.5863	2.509	4	127.7606	6.288	21	127.7606	6.288	21
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:	3:2:3:	3:2:3:	N[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO)	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2{1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,4|N<3>}	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO){1|C<3>,1|N<2>,1|N<3>}	129.3215	0.919	6	129.3215	0.844	6	129.4229	0.509	10	129.4229	0.509	10	127.7606	6.288	21	127.7606	6.288	21
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:	3:2:3:	3:2:3:	N[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO)	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2{1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,3|N<3>}	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO){1|C<3>,1|N<2>,1|N<3>}	129.5750	0.265	4	129.5750	0.070	4	129.4229	0.509	10	129.4229	0.509	10	127.7606	6.288	21	127.7606	6.288	21
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	N[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5]N[5a]C[5])(N[5]C[5]C)(O)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5a]C[5])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	121.2100	0.000	1	121.2100	0.000	1	121.2100	0.000	1	121.2100	0.000	1	127.7606	6.288	21	127.7606	6.288	21
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:	3:2:3:	3:3:4:	N[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:N[5a]-2:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	129.1650	0.000	1	129.1650	0.000	1	129.1650	0.000	1	129.1650	0.000	1	127.7606	6.288	21	127.7606	6.288	21
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5]-3:N[5]-3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	C[5](C[5]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O){1|N<2>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5,6]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	130.5840	0.000	1	130.5840	0.000	1	130.5840	0.000	1	130.5840	0.000	1	127.7606	6.288	21	127.7606	6.288	21
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	3:4:3:	3:3:2:	3:4:1:	N[5a]-3:C[5,6]-4:C[5]-3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5]-3:C[5]-4:H-1:	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a])	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H)	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a]){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	125.6590	0.000	1	125.6590	0.000	1	125.6590	0.000	1	125.6590	0.000	1	127.7606	6.288	21	127.7606	6.288	21
818	813	818	0:SP2_SP2_SP2	C[5]	N[5a]	C[5]	4:3:3:	3:3:2:	3:4:1:	C[5,6]-4:N[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H)	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]C[5,6]N[5a])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	124.5810	0.000	1	124.5810	0.000	1	124.5810	0.000	1	124.5810	0.000	1	127.7606	6.288	21	127.7606	6.288	21
818	813	818	5:SP2_SP2_SP2	C[5,6]	N[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	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[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>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	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>}	109.9695	0.155	2	109.9294	0.017	5	109.9294	0.017	5	109.9294	0.017	5	110.0180	0.061	6	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5,6]	N[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	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[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>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	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>}	109.9027	0.138	3	109.9294	0.017	5	109.9294	0.017	5	109.9294	0.017	5	110.0180	0.061	6	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5,6]	N[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:4:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H)	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>,1|O<1>,3|H<1>,5|C<3>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	110.0180	0.061	6	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5,6]-3:N-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH)	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N)	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N){2|C<4>,3|C<3>}	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|S<2>,3|C<4>}	104.4580	0.000	1	104.4580	0.000	1	104.4580	0.000	1	104.4580	0.000	1	104.4580	0.000	1	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	3:3:3:	3:2:1:	N[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]H)(H)	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5](C[5]N[5,5a]H)(S[5]C[5,5a])(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5,5a]H)(S[5]C[5,5a])(H){1|C<3>,1|N<3>}	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]H)(H)	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H)	C[5](C[5]N[5,5a]H)(N[5]C[5,5a]C)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]N[5,5a]H)(N[5]C[5,5a]C)(H){1|B<4>,1|C<3>}	105.3830	0.025	2	105.3830	0.001	2	105.3830	0.001	2	104.9395	0.345	4	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,5a]-3:C[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5]C[5,5a]H)(C[5]N[5,5a]O)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O){2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){4|H<1>}	C[5](C[5]C[5,5a]H)(C[5]N[5,5a]O)(H){2|C<3>}	104.1450	0.000	1	104.1450	0.000	1	104.1450	0.000	1	104.9395	0.345	4	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,5a]-3:C[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O){1|Cl<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl){2|C<3>}	104.8470	0.000	1	104.8470	0.000	1	104.8470	0.000	1	104.9395	0.345	4	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5,5a]-3:C[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]N)(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(NN)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(NN){2|C<3>}	103.5040	0.000	1	103.5040	0.000	1	103.5040	0.000	1	103.5040	0.000	1	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5,5a]-3:C[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5](C[5]C[5,5a]N)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O){1|N<3>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]N)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.2450	0.000	1	105.2450	0.000	1	105.2450	0.000	1	105.2450	0.000	1	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5,5a]-3:C[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O){1|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO){2|C<3>}	105.5670	0.000	1	105.5670	0.000	1	105.5670	0.000	1	105.5670	0.000	1	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	3:4:3:	3:2:4:	N[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:B[5a]-4:C[5]-3:	C[5]-3:N[5]-2:P-4:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]N[5]P)(H)	N[5,5a](N[5,5a]B[5a]N[5])(B[5a]N[5a]C[6]2)(C[5]C[5]H)	C[5](C[5]N[5,5a]H)(N[5]N[5,5a])(PC[6a]2O)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]N[5]P)(H){1|B<4>,1|N<3>,2|C<4>}	N[5,5a](N[5,5a]B[5a]N[5])(B[5a]N[5a]C[6]2)(C[5]C[5]H){1|N<2>,1|P<4>,2|H<1>,6|C<4>}	C[5](C[5]N[5,5a]H)(N[5]N[5,5a])(PC[6a]2O){2|B<4>}	106.4680	0.000	1	106.4680	0.000	1	106.4680	0.000	1	106.4680	0.000	1	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5a]-3:C[5]-3:H-1:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	N[5,5a](B[5a]C[6a]N[5a]2)(N[5,5a]B[5a]C[5])(C[5]C[5]H)	C[5](C[5]N[5,5a]H)2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5,5a](B[5a]C[6a]N[5a]2)(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]N[5,5a]H)2(H){2|B<4>}	108.8650	0.202	2	108.8650	0.041	2	108.8158	0.121	12	108.8158	0.121	12	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5a]-3:C[5]-3:H-1:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	C[5](C[5]N[5,5a]H)2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5](C[5]N[5,5a]H)2(H){2|B<4>}	108.9870	0.151	2	108.8060	0.143	10	108.8158	0.121	12	108.8158	0.121	12	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5a]-3:C[5]-3:H-1:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	C[5](C[5]N[5,5a]H)2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Li<4>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]N[5,5a]H)2(H){2|B<4>}	108.8563	0.595	4	108.8060	0.143	10	108.8158	0.121	12	108.8158	0.121	12	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5a]-3:C[5]-3:H-1:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	C[5](C[5]N[5,5a]H)2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Mg<5>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]N[5,5a]H)2(H){2|B<4>}	108.7570	0.023	2	108.8060	0.143	10	108.8158	0.121	12	108.8158	0.121	12	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5a]-3:C[5]-3:H-1:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	C[5](C[5]N[5,5a]H)2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Mg<6>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]N[5,5a]H)2(H){2|B<4>}	108.5735	0.125	2	108.8060	0.143	10	108.8158	0.121	12	108.8158	0.121	12	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:2:	3:3:3:	3:2:3:	N[5,5a]-3:C[5]-3:Se-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]Se[5])(SeSe)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se)	C[5](C[5]N[5,5a]Se)(Se[5]C[5,5a])(C[6a]C[6a]2)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]Se[5])(SeSe){5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se){2|H<1>,3|C<3>}	C[5](C[5]N[5,5a]Se)(Se[5]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	115.1895	0.575	2	115.1895	0.330	2	115.1895	0.330	2	115.1895	0.330	2	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5])	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H){1|N<3>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]){3|H<1>,4|C<3>}	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(H){1|N<3>,3|C<3>}	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:	3:3:3:	3:2:4:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:S[5]-2:C-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C)	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N)	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(CH3)	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C){2|H<1>,2|N<3>,3|C<3>}	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N){2|C<3>,3|C<4>}	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(CH3){1|N<3>,3|C<3>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]C[5a,6]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]W)(H)	C[5](N[5,5a]C[5a,6]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|W<6>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|O<1>,1|W<6>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]W)(H){4|C<3>}	106.9610	0.000	1	106.9610	0.000	1	106.9610	0.000	1	106.4066	0.225	5	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]B[5a]C[5])(C[5]C[6a]C[5])	C[5](C[5]N[5,5a]C[6a])2(H)	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,2|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]B[5a]C[5])(C[5]C[6a]C[5]){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a])2(H){1|B<4>,5|C<3>}	106.2680	0.414	4	106.2680	0.172	4	106.2680	0.172	4	106.4066	0.225	5	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	N[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N)	C[5](C[5]N[5,5a]C[6a])(C[6a]C[6a]2)(S[5]C[5,5a])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N){2|C<4>,3|C<3>}	C[5](C[5]N[5,5a]C[6a])(C[6a]C[6a]2)(S[5]C[5,5a]){1|N<3>,2|H<1>,5|C<3>}	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	N[5,5a]-3:C[5]-3:N-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(NCH)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N)	C[5](C[5]N[5,5a]CH)(C[5]N[5,5a]N)(COO)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(NCH){1|H<1>,1|O<1>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N){2|H<1>,3|C<3>}	C[5](C[5]N[5,5a]CH)(C[5]N[5,5a]N)(COO){2|C<3>}	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:	3:4:3:	3:3:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a]-3:B[5a]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]CC)(C[5]C[6a]C[5])	C[5](C[5]N[5,5a]C[6a])2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]CC)(C[5]C[6a]C[5]){1|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a])2(H){1|B<4>,5|C<3>}	108.7908	0.276	4	108.7908	0.076	4	108.7908	0.076	4	108.7908	0.076	4	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:3:	4:3:3:	3:2:3:	N[5,5a]-3:C[5]-3:C-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]N[5]C)(COO)	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]N[5])(C[5]C[5]C)	C[5](C[5]N[5,5a]C)(N[5]N[5,5a])(COO)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]N[5]C)(COO){1|B<4>,1|N<3>,2|C<3>}	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]N[5])(C[5]C[5]C){1|N<2>,7|C<3>}	C[5](C[5]N[5,5a]C)(N[5]N[5,5a])(COO){2|B<4>}	105.6210	0.000	1	105.6210	0.000	1	105.6210	0.000	1	105.6210	0.000	1	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5,5a]-3:C[5]-3:C-4:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3)	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C)	C[5](C[5]N[5,5a]C)2(H)	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|N<2>}	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|F<1>}	C[5](C[5]N[5,5a]C)2(H){1|B<4>,1|C<3>}	106.0130	0.465	2	106.0130	0.216	2	106.0130	0.216	2	105.8730	0.167	3	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5,5a]-3:C[5]-3:C-4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(CC3)	N[5,5a](N[5,5a]B[5a]C[5])(C[5a]O[5a]O)(C[5]C[5]C)	C[5](C[5]N[5,5a]C)2(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|O<1>,1|O<2>}	N[5,5a](N[5,5a]B[5a]C[5])(C[5a]O[5a]O)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5,5a]C)2(H){1|B<4>,1|C<3>}	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	105.8730	0.167	3	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,5a]-3:C[5]-3:C-4:	N[5,5a]-3:B[5a]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CH3)	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C)	C[5](C[5]N[5,5a]C)2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|F<1>}	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]N[5,5a]C)2(H){1|B<4>,1|C<3>}	108.0150	0.296	2	108.0150	0.087	2	108.0150	0.087	2	108.0150	0.087	2	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,5a]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5,5a]-3:C[5]-3:C-4:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC3)	N[5,5a](B[5a]C[6a]2O[5a])(N[5,5a]C[5a]C[5])(C[5]C[5]C)	C[5](C[5]N[5,5a]C)2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC3){1|C<4>,1|O<2>,3|C<3>}	N[5,5a](B[5a]C[6a]2O[5a])(N[5,5a]C[5a]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]N[5,5a]C)2(H){1|B<4>,1|C<3>}	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	108.0303	6.491	43	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6,6a]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6,6a]-3:C[5]-3:H-1:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]I)(H)	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H)	C[5](C[5]N[5,6,6a]H)2(I)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]I)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H){1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6,6a]H)2(I){2|B<4>}	108.1688	0.255	4	108.1688	0.065	4	108.1688	0.065	4	108.1688	0.065	4	108.3006	0.591	10	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6,6a]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5,6,6a]-3:C[5]-3:C-4:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CC3)	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6a]C)2(H)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6,6a]C)2(H){2|B<4>}	107.6105	0.050	2	107.6105	0.003	2	108.3885	1.002	6	108.3885	1.002	6	108.3006	0.591	10	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6,6a]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5,6,6a]-3:C[5]-3:C-4:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3)	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6a]C)2(H)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6,6a]C)2(H){2|B<4>}	109.6380	0.206	2	109.6380	0.043	2	108.3885	1.002	6	108.3885	1.002	6	108.3006	0.591	10	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6,6a]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5,6,6a]-3:C[5]-3:C-4:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3)	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6a]C)2(H)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6,6a]C)2(H){2|B<4>}	107.9170	0.431	2	107.9170	0.186	2	108.3885	1.002	6	108.3885	1.002	6	108.3006	0.591	10	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a,6a]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6a,6a]-3:C[5]-3:H-1:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H)	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H){2|B<4>}	107.6900	0.000	1	107.6900	0.000	1	107.6400	0.005	2	107.6400	0.005	2	107.6400	0.005	2	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a,6a]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6a,6a]-3:C[5]-3:H-1:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H)	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>,3|N<3>}	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H){2|B<4>}	107.5900	0.000	1	107.5900	0.000	1	107.6400	0.005	2	107.6400	0.005	2	107.6400	0.005	2	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:N[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-3:	C[5](C[5,6]C[5a,6]N[5,6])(N[5,6a]C[5,6a]C[6a])(H)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H)	C[5](C[5,6]C[5a,6]N[5,6])(N[5,6a]C[5,6a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H){1|N<2>,1|O<2>,2|F<1>,4|C<3>}	106.3380	0.294	2	106.3380	0.087	2	106.3380	0.087	2	106.3380	0.087	2	106.1072	0.204	4	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5,6]	3:3:1:	4:3:2:	3:3:3:	N[5,6a]-3:C[5,6]-3:O-1:	B[5,6a]-4:C[5]-3:N[6a]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,6a]B[5,6a]N[6a])(C[5,6]N[5,6]C[6])(O)	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a])	C[5,6](N[5,6]B[5,6a]C[6])(C[5]N[5,6a]O)(C[6]C[6]H)	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>}	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	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>}	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	106.1072	0.204	4	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:N[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N)	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC){1|C<4>,1|H<1>,4|C<3>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N){1|C<4>,3|H<1>,4|C<3>}	105.4820	0.000	1	105.4820	0.000	1	105.4820	0.000	1	105.4820	0.000	1	106.1072	0.204	4	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]N[6a]S)(C[5]C[5]H)	C[5](C[5]N[5,6a]H)(S[5]C[5,6a])(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H){1|S<1>,2|N<2>}	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]N[6a]S)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](C[5]N[5,6a]H)(S[5]C[5,6a])(H){1|C<3>,1|N<2>}	112.6550	0.000	1	112.6550	0.000	1	112.6550	0.000	1	111.8997	0.428	3	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	N[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H)	C[5](C[5]N[5,6a]H)(S[5]C[5,6a])(H)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]H)(H){1|N<2>,2|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]H)(S[5]C[5,6a])(H){1|C<3>,1|N<2>}	111.5220	0.000	2	111.5220	0.000	2	111.5220	0.000	2	111.8997	0.428	3	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H){2|C<3>}	107.1770	0.000	1	107.1770	0.000	1	106.7830	0.206	3	106.5206	0.233	5	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,4|H<1>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(H){2|C<3>}	106.5860	0.423	2	106.5860	0.179	2	106.7830	0.206	3	106.5206	0.233	5	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H){1|C<4>,1|N<2>,2|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H){2|C<3>}	106.0860	0.000	1	106.0860	0.000	1	106.0860	0.000	1	106.5206	0.233	5	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]H)(H)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H){1|N<2>,3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]H)(H){4|C<3>}	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	106.5206	0.233	5	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](N[5,6a]C[5,6a]2)(C[5]C[6a]O[5])(H)	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H)	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](N[5,6a]C[5,6a]2)(C[5]C[6a]O[5])(H){1|C<4>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	104.2170	0.000	1	104.2170	0.000	1	104.2170	0.000	1	105.9190	2.333	3	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H)	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H){1|C<4>,4|C<3>}	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	107.1710	0.000	1	107.1710	0.000	1	106.7700	0.322	2	105.9190	2.333	3	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H)	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H){1|H<1>,1|N<2>,3|C<3>}	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,2|C<3>}	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<2>,2|H<1>,3|C<3>}	106.3690	0.000	1	106.3690	0.000	1	106.7700	0.322	2	105.9190	2.333	3	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-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])(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]N[5,6a]H)(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])(H){2|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	107.5710	0.213	3	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<3>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H){1|N<3>,1|O<1>,4|C<3>}	107.6150	0.643	2	107.6150	0.414	2	107.6150	0.414	2	107.5710	0.213	3	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3){2|C<3>}	107.2450	0.000	1	107.1410	0.056	3	107.1410	0.056	3	106.8626	0.585	5	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<3>,3|C<4>}	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3){2|C<3>}	107.0890	0.308	2	107.1410	0.056	3	107.1410	0.056	3	106.8626	0.585	5	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:B[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,6a]C[5,6a]B[6a])(C[5]C[5]C)(O)	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C[5](N[5,6a]C[5,6a]B[6a])(C[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){1|B<3>,1|C<3>}	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	106.8626	0.585	5	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){2|C<3>}	105.5370	0.000	1	105.5370	0.000	1	105.5370	0.000	1	106.8626	0.585	5	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H)	C[5](C[5]C[5,6a]CC)(C[5]N[5,6a]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]N[5,6a]H)(H){1|C<3>,1|N<2>}	105.3100	0.000	1	105.3100	0.000	1	105.3100	0.000	1	105.3100	0.000	1	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	N[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:N-2:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(CCO)	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]N[5,6a]C)(O[5]C[5,6a])(NC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(CCO){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]N[5,6a]C)(O[5]C[5,6a])(NC){2|C<3>}	105.5710	0.000	1	105.5710	0.000	1	105.5710	0.000	1	105.5710	0.000	1	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	N[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(COO)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CN[6]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(COO){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CN[6]C){2|C<3>}	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){4|C<3>,4|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]H)(H){4|C<3>}	105.6310	0.000	1	105.6310	0.000	1	105.6310	0.000	1	105.6310	0.000	1	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-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)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	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>}	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>}	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>}	105.6080	0.000	1	105.6080	0.000	1	105.4305	0.063	2	105.8640	0.595	3	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-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)	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	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>}	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>}	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>}	105.2530	0.000	1	105.2530	0.000	1	105.4305	0.063	2	105.8640	0.595	3	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-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[6a]C[6a]2)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.7310	0.000	1	106.7310	0.000	1	106.7310	0.000	1	105.8640	0.595	3	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-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)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	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>}	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>}	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(CH3){4|C<3>}	105.6110	0.000	1	105.6110	0.000	1	105.6110	0.000	1	105.6110	0.000	1	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	N[5,6a]-3:C[5]-3:N-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(NHH)	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]N)	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]N)(COO)	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(NHH){1|H<1>,1|O<1>,3|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]N){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]N)(COO){4|C<3>}	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:4:	N[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C)	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CH3)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3){3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CH3){2|C<3>}	111.9690	0.419	2	111.9690	0.175	2	111.9690	0.175	2	111.9690	0.175	2	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	104.6240	0.000	1	104.6240	0.000	1	104.6240	0.000	1	104.6240	0.000	1	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	N[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]C)	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]C)(CCO)	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]C)(CCO){4|C<3>}	110.2575	0.211	2	110.2575	0.045	2	110.2575	0.045	2	110.2575	0.045	2	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP2	C[5]	N[5,6a]	C[5]	3:4:3:	3:3:3:	3:2:1:	N[5,6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5,6]C[5]H)(C[5]S[5]H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2)	C[5](C[5]N[5,6a]C[5])(S[5]C[5,6a])(H)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5,6]C[5]H)(C[5]S[5]H){1|S<2>,2|H<1>,5|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.5700	0.584	2	111.5700	0.341	2	111.5700	0.341	2	111.5700	0.341	2	107.9452	6.814	35	108.0264	5.631	101
818	813	818	5:SP2_SP2_SP3	C[5]	N[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C)	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]Cr)(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H){1|Cr<6>,1|C<4>,2|H<1>,4|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C){1|Cr<6>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]Cr)(H){4|C<3>}	106.7920	0.000	1	106.7920	0.000	1	106.8340	0.004	2	106.8340	0.004	2	106.8340	0.004	2	106.8340	0.004	2
818	813	818	5:SP2_SP2_SP3	C[5]	N[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O)	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]Cr)(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H){1|Cr<6>,1|O<1>,2|H<1>,4|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O){1|Cr<6>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]Cr)(H){4|C<3>}	106.8760	0.000	1	106.8760	0.000	1	106.8340	0.004	2	106.8340	0.004	2	106.8340	0.004	2	106.8340	0.004	2
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:2:1:	3:3:3:	3:	N[5,5a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]B[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O)	O(C[5]N[5,5a]O[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]B[5])(O){2|F<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	O(C[5]N[5,5a]O[5])	124.2800	0.103	2	124.2800	0.011	2	124.2800	0.011	2	124.2800	0.011	2	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C)	O(C[5]C[5,6a]N[5,5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|C<4>,1|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C){4|C<3>}	O(C[5]C[5,6a]N[5,5a])	125.5647	0.511	3	125.5647	0.261	3	125.7181	0.132	8	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	O(C[5]C[5,6a]N[5,5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|C<4>,3|C<3>}	O(C[5]C[5,6a]N[5,5a])	125.5830	0.000	1	125.8795	0.176	2	125.7181	0.132	8	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	O(C[5]C[5,6a]N[5,5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5,5a])	126.1760	0.000	1	125.8795	0.176	2	125.7181	0.132	8	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O)	O(C[5]C[5,6a]N[5,5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O){1|H<1>,3|C<3>}	O(C[5]C[5,6a]N[5,5a])	125.5220	0.000	1	125.5220	0.000	1	125.7181	0.132	8	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	O(C[5]C[5,6a]N[5,5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|N<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>}	O(C[5]C[5,6a]N[5,5a])	125.8850	0.100	2	125.8850	0.010	2	125.7181	0.132	8	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	O(C[5]C[5,6a]N[5,5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){2|H<1>,4|C<3>}	O(C[5]C[5,6a]N[5,5a])	126.2940	0.000	1	126.2940	0.000	1	126.2940	0.000	1	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5,5a]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)	O(C[5]C[5,5a]N[5,5a])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O){1|C<4>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O){1|H<1>,1|N<3>,4|C<3>}	O(C[5]C[5,5a]N[5,5a])	125.7990	0.000	1	125.7990	0.000	1	125.7990	0.000	1	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	O(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O){2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){4|H<1>}	O(C[5]N[5,5a]C[5])	125.2270	0.000	1	125.2270	0.000	1	125.3750	0.044	2	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]N)(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	O(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	O(C[5]N[5,5a]C[5])	125.5230	0.000	1	125.5230	0.000	1	125.3750	0.044	2	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	O(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O){1|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	O(C[5]N[5,5a]C[5])	126.0980	0.000	1	126.0980	0.000	1	126.6123	3.727	3	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	O(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O){1|Cl<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	O(C[5]N[5,5a]C[5])	128.7480	0.000	1	128.7480	0.000	1	126.6123	3.727	3	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	O(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O){1|N<3>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	O(C[5]N[5,5a]C[5])	124.9910	0.000	1	124.9910	0.000	1	126.6123	3.727	3	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:N[5]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	O(C[5]N[5,5a]N[5])	C[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|N<3>,3|H<1>}	O(C[5]N[5,5a]N[5])	126.1970	0.000	1	126.1970	0.000	1	126.1970	0.000	1	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:N[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5,6]O)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O)	O(C[5]N[5,5a]N[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5,6]O)(O){5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	O(C[5]N[5,5a]N[5])	127.8720	0.000	1	127.8720	0.000	1	126.4904	0.897	5	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:N[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	O(C[5]N[5,5a]N[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O){1|C<4>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	O(C[5]N[5,5a]N[5])	125.6920	0.000	1	126.0610	0.272	2	126.4904	0.897	5	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:N[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	O(C[5]N[5,5a]N[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O){5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){3|H<1>,4|C<3>}	O(C[5]N[5,5a]N[5])	126.4300	0.000	1	126.0610	0.272	2	126.4904	0.897	5	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:N[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	O(C[5]N[5,5a]N[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O){1|H<1>,6|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	O(C[5]N[5,5a]N[5])	125.5570	0.000	1	126.2290	0.903	2	126.4904	0.897	5	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:3:1:	3:3:3:	3:	N[5,5a]-3:N[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	O(C[5]N[5,5a]N[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O){6|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	O(C[5]N[5,5a]N[5])	126.9010	0.000	1	126.2290	0.903	2	126.4904	0.897	5	126.0511	0.793	21	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:4:1:	3:3:3:	3:	N[5,5a]-3:C[3x5]-4:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3x5]C[5,5]2O[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O)	O(C[5]N[5,5a]C[3x5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3x5]C[5,5]2O[5])(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[5]N[5,5a]C[3x5])	126.6970	0.000	1	126.6970	0.000	1	126.6970	0.000	1	125.1166	0.832	11	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:4:1:	3:3:3:	3:	N[5,5a]-3:C[5,5]-4:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)	O(C[5]N[5,5a]C[5,5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[5]N[5,5a]C[5,5])	124.8570	0.000	1	124.8570	0.000	1	124.4682	0.053	5	125.1166	0.832	11	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:4:1:	3:3:3:	3:	N[5,5a]-3:C[5,5]-4:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O)	O(C[5]N[5,5a]C[5,5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<4>,3|C<3>}	O(C[5]N[5,5a]C[5,5])	124.3810	0.000	1	124.3810	0.000	1	124.4682	0.053	5	125.1166	0.832	11	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:4:1:	3:3:3:	3:	N[5,5a]-3:C[5,5]-4:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5,5]O)	O(C[5]N[5,5a]C[5,5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]S[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<3>,2|C<4>}	O(C[5]N[5,5a]C[5,5])	124.3677	0.109	3	124.3677	0.012	3	124.4682	0.053	5	125.1166	0.832	11	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:4:1:	3:3:3:	3:	N[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O)	O(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){1|C<4>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]N[5,5a]C[5])	125.0890	0.000	1	125.0890	0.000	1	125.3803	1.451	3	125.1166	0.832	11	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:4:1:	3:3:3:	3:	N[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	O(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(O){2|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	O(C[5]N[5,5a]C[5])	124.3480	0.000	1	124.3480	0.000	1	125.3803	1.451	3	125.1166	0.832	11	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:4:1:	3:3:3:	3:	N[5,5a]-3:C[5]-4:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O)	N[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]N[5a])(C[5]C[5]O)	O(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O){1|N<2>,2|C<3>}	N[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]N[5a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	O(C[5]N[5,5a]C[5])	126.7040	0.000	1	126.7040	0.000	1	125.3803	1.451	3	125.1166	0.832	11	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:4:1:	3:3:3:	3:	N[5,5a]-3:C[5]-4:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	O(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(O){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	O(C[5]N[5,5a]C[5])	125.4500	0.000	1	125.4500	0.000	1	125.5520	0.021	2	125.1166	0.832	11	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	3:4:1:	3:3:3:	3:	N[5,5a]-3:C[5]-4:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HP)(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	O(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HP)(O){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|P<4>,3|H<1>,4|C<3>}	O(C[5]N[5,5a]C[5])	125.6540	0.000	1	125.6540	0.000	1	125.5520	0.021	2	125.1166	0.832	11	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,5a]	O	4:3:1:	3:3:2:	3:	C[5,5]-4:N[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5a]C[5,5a]N[5a])(O)	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a])	O(C[5]N[5,5a]C[5,5])	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5a]C[5,5a]N[5a])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a]){1|H<1>,2|C<4>}	O(C[5]N[5,5a]C[5,5])	124.8800	0.000	1	124.8800	0.000	1	124.8800	0.000	1	124.8800	0.000	1	125.6228	1.030	35	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,6a]	O	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:B[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]B[6a])(C[5]C[5]C)(O)	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O)	O(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]B[6a])(C[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	O(C[5]N[5,6a]C[5])	123.9690	0.000	1	123.9690	0.000	1	123.9690	0.000	1	125.8983	4.420	3	127.9372	4.435	8	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,6a]	O	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O)	O(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	O(C[5]N[5,6a]C[5])	125.5870	0.000	1	125.5870	0.000	1	125.5870	0.000	1	125.8983	4.420	3	127.9372	4.435	8	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,6a]	O	3:3:1:	3:3:3:	3:	N[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O)	O(C[5]N[5,6a]N[5])	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,2|O<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[5]N[5,6a]N[5])	128.1390	0.000	1	128.1390	0.000	1	128.1390	0.000	1	125.8983	4.420	3	127.9372	4.435	8	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,6a]	O	3:3:1:	4:3:2:	3:	N[5,6a]-3:C[5,6]-3:O-1:	B[5,6a]-4:C[5]-3:N[6a]-2:	C[5]-3:	C[5](N[5,6a]B[5,6a]N[6a])(C[5,6]N[5,6]C[6])(O)	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a])	O(C[5]N[5,6a]C[5,6])	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>}	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	O(C[5]N[5,6a]C[5,6])	130.4740	0.000	1	130.4740	0.000	1	130.4740	0.000	1	130.4740	0.000	1	127.9372	4.435	8	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,6a]	O	3:4:1:	4:2:3:	3:	N[5,6a]-3:C[5]-4:O-1:	B[5,6a]-4:N[6a]-2:C[5]-3:	C[5]-3:	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	O(C[5]N[5,6a]C[5])	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O){1|O<2>,2|C<3>,2|C<4>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	O(C[5]N[5,6a]C[5])	129.0640	0.000	1	128.8710	0.074	2	128.8322	0.031	4	128.8322	0.031	4	127.9372	4.435	8	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,6a]	O	3:4:1:	4:2:3:	3:	N[5,6a]-3:C[5]-4:O-1:	B[5,6a]-4:N[6a]-2:C[5]-3:	C[5]-3:	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	O(C[5]N[5,6a]C[5])	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O){1|O<2>,2|C<3>,2|H<1>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	O(C[5]N[5,6a]C[5])	128.6780	0.000	1	128.8710	0.074	2	128.8322	0.031	4	128.8322	0.031	4	127.9372	4.435	8	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,6a]	O	3:4:1:	4:2:3:	3:	N[5,6a]-3:C[5]-4:O-1:	B[5,6a]-4:N[6a]-2:C[5]-3:	C[5]-3:	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	O(C[5]N[5,6a]C[5])	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	O(C[5]N[5,6a]C[5])	128.7130	0.000	1	128.7935	0.013	2	128.8322	0.031	4	128.8322	0.031	4	127.9372	4.435	8	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP2	C[5]	N[5,6a]	O	3:4:1:	4:2:3:	3:	N[5,6a]-3:C[5]-4:O-1:	B[5,6a]-4:N[6a]-2:C[5]-3:	C[5]-3:	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	O(C[5]N[5,6a]C[5])	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,5|H<1>}	O(C[5]N[5,6a]C[5])	128.8740	0.000	1	128.7935	0.013	2	128.8322	0.031	4	128.8322	0.031	4	127.9372	4.435	8	126.0534	2.404	43
818	813	863	0:SP2_SP2_SP3	C[5]	N[5,5a]	O	3:2:1:	3:3:3:	3:	N[5,5a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	O(C[5]N[5,5a]O[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O){2|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	O(C[5]N[5,5a]O[5])	128.4140	0.000	1	128.4140	0.000	1	128.4140	0.000	1	128.4140	0.000	1	128.4140	0.000	1	128.4140	0.000	1
818	813	891	5:SP2_SP2_SP2	C[5]	N[5,5a]	S[5]	3:2:2:	3:3:3:	3:2:	N[5,5a]-3:S[5]-2:N-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N)	S[5](C[5]N[5,5a]N)(N[5]C[5,5a])	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC){1|S<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N){1|H<1>,2|C<3>}	S[5](C[5]N[5,5a]N)(N[5]C[5,5a]){1|C<3>,1|S<2>}	104.1750	0.000	1	104.1750	0.000	1	103.7570	0.349	2	103.7570	0.349	2	104.5317	1.975	3	104.7230	0.860	6
818	813	891	5:SP2_SP2_SP2	C[5]	N[5,5a]	S[5]	3:2:2:	3:3:3:	3:2:	N[5,5a]-3:S[5]-2:N-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	S[5](C[5]N[5,5a]N)(N[5]C[5,5a])	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a]){1|N<3>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	S[5](C[5]N[5,5a]N)(N[5]C[5,5a]){1|C<3>,1|N<3>}	103.3390	0.000	1	103.3390	0.000	1	103.7570	0.349	2	103.7570	0.349	2	104.5317	1.975	3	104.7230	0.860	6
818	813	891	5:SP2_SP2_SP2	C[5]	N[5,5a]	S[5]	3:2:2:	3:3:3:	3:3:	N[5,5a]-3:S[5]-2:N-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	N[5]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	S[5](N[5]C[5,5a]C[6a])(C[5]N[5,5a]N)	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a]){1|N<2>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|H<1>,3|C<3>}	S[5](N[5]C[5,5a]C[6a])(C[5]N[5,5a]N){1|N<2>,3|C<3>}	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	104.5317	1.975	3	104.7230	0.860	6
818	813	891	5:SP2_SP2_SP2	C[5]	N[5,6a]	S[5]	3:2:1:	3:3:3:	3:2:	N[5,6a]-3:S[5]-2:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(S)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S)	S[5](C[5]N[5,6a]S)(N[5]C[5,6a])	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(S){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,1|H<1>,1|O<2>}	S[5](C[5]N[5,6a]S)(N[5]C[5,6a]){2|C<3>}	105.0620	0.000	2	105.0620	0.000	2	105.0620	0.000	2	105.0620	0.000	2	104.9143	0.065	3	104.7230	0.860	6
818	813	891	5:SP2_SP2_SP2	C[5]	N[5,6a]	S[5]	3:2:2:	3:3:3:	3:2:	N[5,6a]-3:S[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(NC)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N)	S[5](C[5]N[5,6a]N)(N[5]C[5,6a])	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(NC){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N){1|C<3>,2|H<1>}	S[5](C[5]N[5,6a]N)(N[5]C[5,6a]){2|C<3>}	104.6190	0.000	1	104.6190	0.000	1	104.6190	0.000	1	104.6190	0.000	1	104.9143	0.065	3	104.7230	0.860	6
818	813	914	0:SP2_SP2_SP2	C[5,6]	N[5,6a]	N[6]	3:3:2:	3:3:3:	3:4:	N[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:	C[5,6](N[5,6a]C[5,6a]C[6a])(N[5,6]C[6]N[5])(N[6]C[6])	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C)	N[6](C[5,6]N[5,6a]N[5,6])(C[6]C[6a]C[6]H)	C[5,6](N[5,6a]C[5,6a]C[6a])(N[5,6]C[6]N[5])(N[6]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	N[6](C[5,6]N[5,6a]N[5,6])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	125.9490	0.047	2	125.9490	0.002	2	125.9490	0.002	2	125.9490	0.002	2	125.9490	0.002	2	125.9490	0.002	2
818	813	921	0:SP2_SP2_SP3	C[5]	N[5,5a]	Se	3:3:2:	3:3:3:	3:2:	N[5,5a]-3:C[5]-3:Se-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:Se-2:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]Se[5])(SeSe)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se)	Se(C[5]N[5,5a]C[5])(SeC[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]Se[5])(SeSe){5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se){2|H<1>,3|C<3>}	Se(C[5]N[5,5a]C[5])(SeC[5])	122.6455	0.610	2	122.6455	0.372	2	122.6455	0.372	2	122.6455	0.372	2	122.6455	0.372	2	122.6455	0.372	2
818	813	930	0:SP2_SP2_SP2	C[5]	N[5,5a]	C	3:3:3:	4:3:3:	3:2:1:	N[5,5a]-3:C[5]-3:C-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:O-2:O-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]N[5]C)(COO)	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]N[5])(C[5]C[5]C)	C(C[5]N[5,5a]C[5])(OC)(O)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]N[5]C)(COO){1|B<4>,1|N<3>,2|C<3>}	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]N[5])(C[5]C[5]C){1|N<2>,7|C<3>}	C(C[5]N[5,5a]C[5])(OC)(O)	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	123.6998	13.264	6
818	813	930	0:SP2_SP2_SP2	C[5]	N[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	N[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:O-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(COO)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]N[5,6a]C[5])(OC)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(COO){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C(C[5]N[5,6a]C[5])(OC)(O)	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	124.0402	15.712	5	123.6998	13.264	6
818	813	930	0:SP2_SP2_SP2	C[5]	N[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	N[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:O-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(CCO)	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]N[5,6a]C[5])(CF3)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(CCO){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5]N[5,6a]C[5])(CF3)(O)	121.3490	0.000	1	121.3490	0.000	1	121.3490	0.000	1	121.3490	0.000	1	124.0402	15.712	5	123.6998	13.264	6
818	813	930	0:SP2_SP2_SP2	C[5]	N[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	N[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Cl-1:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CClH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C)	C(C[5]N[5,6a]C[5])(Cl)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CClH){1|C<4>,1|O<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C(C[5]N[5,6a]C[5])(Cl)(H)	126.7950	0.000	1	126.7950	0.000	1	126.7950	0.000	1	126.8210	0.235	3	124.0402	15.712	5	123.6998	13.264	6
818	813	930	0:SP2_SP2_SP2	C[5]	N[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	N[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C(C[5]N[5,6a]C[5])(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH){1|O<1>,1|S<4>,2|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	C(C[5]N[5,6a]C[5])(H)2	127.3180	0.000	1	127.3180	0.000	1	127.3180	0.000	1	126.8210	0.235	3	124.0402	15.712	5	123.6998	13.264	6
818	813	930	0:SP2_SP2_SP2	C[5]	N[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	N[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:I-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHI)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C(C[5]N[5,6a]C[5])(H)(I)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHI){1|O<1>,1|S<4>,2|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	C(C[5]N[5,6a]C[5])(H)(I)	126.3500	0.000	1	126.3500	0.000	1	126.3500	0.000	1	126.8210	0.235	3	124.0402	15.712	5	123.6998	13.264	6
818	813	941	0:SP2_SP2_SP2	C[5]	N[5,5a]	N	3:2:2:	3:3:3:	3:3:	N[5,5a]-3:S[5]-2:N-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	N(C[5]N[5,5a]S[5])(C[6a]C[6a]2)	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a]){1|N<2>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|H<1>,3|C<3>}	N(C[5]N[5,5a]S[5])(C[6a]C[6a]2)	124.2740	0.000	1	122.6290	5.412	2	122.6290	5.412	2	122.6290	5.412	2	124.2140	6.331	4	123.1345	6.386	8
818	813	941	0:SP2_SP2_SP2	C[5]	N[5,5a]	N	3:2:2:	3:3:3:	3:3:	N[5,5a]-3:S[5]-2:N-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	N(C[5]N[5,5a]S[5])(C[6a]C[6a]2)	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC[6a]){1|N<3>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	N(C[5]N[5,5a]S[5])(C[6a]C[6a]2)	120.9840	0.000	1	122.6290	5.412	2	122.6290	5.412	2	122.6290	5.412	2	124.2140	6.331	4	123.1345	6.386	8
818	813	941	0:SP2_SP2_SP2	C[5]	N[5,5a]	N	3:2:2:	3:3:3:	3:4:	N[5,5a]-3:S[5]-2:N-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N)	N(C[5]N[5,5a]S[5])(CCHH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(S[5]N[5])(NC){1|S<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N){1|H<1>,2|C<3>}	N(C[5]N[5,5a]S[5])(CCHH)	124.4700	0.000	1	124.4700	0.000	1	124.4700	0.000	1	124.4700	0.000	1	124.2140	6.331	4	123.1345	6.386	8
818	813	941	0:SP2_SP2_SP2	C[5]	N[5,5a]	N	3:3:2:	3:2:3:	3:1:	N[5,5a]-3:N[5]-3:N-2:	C[5,5a]-3:N[5a]-2:C[5]-3:	C[5]-3:H-1:	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NH)	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	N(C[5]N[5,5a]N[5])(H)	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NH){1|C<3>,1|N<3>}	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	N(C[5]N[5,5a]N[5])(H)	127.1280	0.000	1	127.1280	0.000	1	127.1280	0.000	1	127.1280	0.000	1	124.2140	6.331	4	123.1345	6.386	8
818	813	941	0:SP2_SP2_SP2	C[5]	N[5,6a]	N	3:2:2:	3:3:3:	3:4:	N[5,6a]-3:S[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(NC)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N)	N(C[5]N[5,6a]S[5])(CCHH)	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(NC){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N){1|C<3>,2|H<1>}	N(C[5]N[5,6a]S[5])(CCHH)	123.8650	0.000	1	123.8650	0.000	1	123.8650	0.000	1	123.8650	0.000	1	122.0550	5.462	4	123.1345	6.386	8
818	813	941	0:SP2_SP2_SP2	C[5]	N[5,6a]	N	3:3:2:	3:2:3:	3:3:	N[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N-3:	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN)	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N)	N(C[5]N[5,6a]N[5])(NOO)	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN){1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N){1|H<1>,2|N<2>}	N(C[5]N[5,6a]N[5])(NOO)	119.8670	0.000	1	120.0400	0.060	2	120.0400	0.060	2	120.0400	0.060	2	122.0550	5.462	4	123.1345	6.386	8
818	813	941	0:SP2_SP2_SP2	C[5]	N[5,6a]	N	3:3:2:	3:2:3:	3:3:	N[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N-3:	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN)	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N)	N(C[5]N[5,6a]N[5])(NOO)	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN){1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N){1|N<2>,2|H<1>}	N(C[5]N[5,6a]N[5])(NOO)	120.2130	0.000	1	120.0400	0.060	2	120.0400	0.060	2	120.0400	0.060	2	122.0550	5.462	4	123.1345	6.386	8
818	813	941	0:SP2_SP2_SP2	C[5]	N[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6]-3:N[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	N(C[5]N[5,6a]C[5,6])(CC3)	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC){1|C<4>,1|H<1>,4|C<3>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N(C[5]N[5,6a]C[5,6])(CC3)	124.2750	0.000	1	124.2750	0.000	1	124.2750	0.000	1	124.2750	0.000	1	122.0550	5.462	4	123.1345	6.386	8
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]H)(H)	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H)	H(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]N[5,5a]C[5])	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	122.4637	71.175	3	125.0122	12.981	14	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]H)(H)	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H)	H(C[5]N[5,5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5a]C[5])	127.3345	0.012	2	127.3345	0.000	2	127.3345	0.000	2	122.4637	71.175	3	125.0122	12.981	14	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:	3:4:3:	3:	N[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:B[5a]-4:C[5]-3:	C[5]-3:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]N[5]P)(H)	N[5,5a](N[5,5a]B[5a]N[5])(B[5a]N[5a]C[6]2)(C[5]C[5]H)	H(C[5]N[5,5a]C[5])	C[5](N[5,5a]N[5,5a]B[5a])(C[5]N[5]P)(H){1|B<4>,1|N<3>,2|C<4>}	N[5,5a](N[5,5a]B[5a]N[5])(B[5a]N[5a]C[6]2)(C[5]C[5]H){1|N<2>,1|P<4>,2|H<1>,6|C<4>}	H(C[5]N[5,5a]C[5])	126.7660	0.000	1	126.7660	0.000	1	126.7660	0.000	1	126.7660	0.000	1	125.0122	12.981	14	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:	4:3:3:	3:	N[5,5a]-3:C[5]-3:H-1:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	N[5,5a](B[5a]C[6a]N[5a]2)(N[5,5a]B[5a]C[5])(C[5]C[5]H)	H(C[5]N[5,5a]C[5])	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5,5a](B[5a]C[6a]N[5a]2)(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5])	125.5600	0.150	2	125.5600	0.022	2	125.6014	0.042	10	125.6014	0.042	10	125.0122	12.981	14	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:	4:3:3:	3:	N[5,5a]-3:C[5]-3:H-1:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	H(C[5]N[5,5a]C[5])	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5])	125.4780	0.000	1	125.6118	0.050	8	125.6014	0.042	10	125.6014	0.042	10	125.0122	12.981	14	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:	4:3:3:	3:	N[5,5a]-3:C[5]-3:H-1:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	H(C[5]N[5,5a]C[5])	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Li<4>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]N[5,5a]C[5])	125.5987	0.315	4	125.6118	0.050	8	125.6014	0.042	10	125.6014	0.042	10	125.0122	12.981	14	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:	4:3:3:	3:	N[5,5a]-3:C[5]-3:H-1:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	H(C[5]N[5,5a]C[5])	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Mg<5>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]N[5,5a]C[5])	125.6155	0.021	2	125.6118	0.050	8	125.6014	0.042	10	125.6014	0.042	10	125.0122	12.981	14	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,5a]	H	3:3:1:	4:3:3:	3:	N[5,5a]-3:C[5]-3:H-1:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	H(C[5]N[5,5a]C[5])	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Mg<6>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]N[5,5a]C[5])	125.7900	0.000	1	125.6118	0.050	8	125.6014	0.042	10	125.6014	0.042	10	125.0122	12.981	14	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6,6a]	H	3:3:1:	4:3:3:	3:	N[5,6,6a]-3:C[5]-3:H-1:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]I)(H)	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H)	H(C[5]N[5,6,6a]C[5])	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]I)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H){1|I<1>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]N[5,6,6a]C[5])	125.8683	0.106	4	125.8683	0.011	4	125.8683	0.011	4	125.8683	0.011	4	125.8683	0.011	4	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a,6a]	H	3:3:1:	4:3:3:	3:	N[5,6a,6a]-3:C[5]-3:H-1:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	H(C[5]N[5,6a,6a]C[5])	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	H(C[5]N[5,6a,6a]C[5])	126.1860	0.000	1	126.1860	0.000	1	126.1960	0.000	2	126.1960	0.000	2	126.1960	0.000	2	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a,6a]	H	3:3:1:	4:3:3:	3:	N[5,6a,6a]-3:C[5]-3:H-1:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	H(C[5]N[5,6a,6a]C[5])	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>,3|N<3>}	H(C[5]N[5,6a,6a]C[5])	126.2060	0.000	1	126.2060	0.000	1	126.1960	0.000	2	126.1960	0.000	2	126.1960	0.000	2	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:N[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[5a,6]N[5,6])(N[5,6a]C[5,6a]C[6a])(H)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[5]N[5,6a]C[5,6])	C[5](C[5,6]C[5a,6]N[5,6])(N[5,6a]C[5,6a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[5]N[5,6a]C[5,6])	126.8075	0.151	2	126.8075	0.023	2	126.8075	0.023	2	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]2)(C[5]C[6a]O[5])(H)	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]2)(C[5]C[6a]O[5])(H){1|C<4>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]N[5,6a]C[5])	127.8960	0.000	1	127.8960	0.000	1	127.8960	0.000	1	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]N[5,6a]C[5])	127.3250	0.000	1	127.3250	0.000	1	126.0728	1.464	13	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<3>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	H(C[5]N[5,6a]C[5])	126.2415	0.349	2	126.2415	0.122	2	126.0728	1.464	13	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	H(C[5]N[5,6a]C[5])	123.2030	0.000	1	123.2030	0.000	1	126.0728	1.464	13	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H)	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H){1|C<4>,4|C<3>}	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]N[5,6a]C[5])	126.4160	0.000	1	126.4160	0.000	1	126.0728	1.464	13	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H)	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H){1|H<1>,1|N<2>,3|C<3>}	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,2|C<3>}	H(C[5]N[5,6a]C[5])	126.8290	0.000	1	126.8290	0.000	1	126.0728	1.464	13	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]N[5,6a]C[5])	126.3930	0.000	1	126.4700	0.015	3	126.0728	1.464	13	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<3>,3|C<4>}	H(C[5]N[5,6a]C[5])	126.5085	0.146	2	126.4700	0.015	3	126.0728	1.464	13	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]N[5,6a]C[5])	126.4310	0.000	1	126.5257	0.083	3	126.0728	1.464	13	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,4|H<1>}	H(C[5]N[5,6a]C[5])	126.5730	0.390	2	126.5257	0.083	3	126.0728	1.464	13	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]N[6a]S)(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H){1|S<1>,2|N<2>}	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]N[6a]S)(C[5]C[5]H){1|C<3>,1|H<1>}	H(C[5]N[5,6a]C[5])	123.7030	0.000	1	123.7030	0.000	1	126.0728	1.464	13	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H){1|C<4>,1|N<2>,2|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]N[5,6a]C[5])	127.0040	0.000	1	126.9615	0.004	2	125.5763	2.560	4	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H){1|N<2>,3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]N[5,6a]C[5])	126.9190	0.000	1	126.9615	0.004	2	125.5763	2.560	4	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H)	H(C[5]N[5,6a]C[5])	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]H)(H){1|N<2>,2|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]N[5,6a]C[5])	124.1910	0.000	2	124.1910	0.000	2	125.5763	2.560	4	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]N[5,6a]N[5])	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]N[5,6a]N[5])	126.3508	0.232	5	126.3508	0.054	5	125.6490	2.998	6	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	951	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]N[5,6a]N[5])	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]N[5,6a]N[5])	122.1400	0.000	1	122.1400	0.000	1	125.6490	2.998	6	126.0252	1.867	26	126.0252	1.867	26	125.7107	5.010	46
818	813	956	0:SP2_SP2_SP2	C[5]	N[5,5a]	N	3:2:3:	3:3:3:	3:4:4:	N[5,5a]-3:N[5]-2:N-3:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	C[5]-3:C-4:C-4:	C[5](N[5,5a]C[5a,6]N[5,5a])(N[5]S[5])(NCC)	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N)	N(C[5]N[5,5a]N[5])(CH3)2	C[5](N[5,5a]C[5a,6]N[5,5a])(N[5]S[5])(NCC){1|C<4>,2|C<3>,2|O<1>}	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N){2|C<4>,2|H<1>,3|O<1>}	N(C[5]N[5,5a]N[5])(CH3)2	119.7300	0.000	1	119.7300	0.000	1	119.7300	0.000	1	119.7300	0.000	1	123.6977	9.422	4	122.6377	9.155	6
818	813	956	0:SP2_SP2_SP2	C[5]	N[5,5a]	N	3:3:3:	3:2:3:	3:1:1:	N[5,5a]-3:N[5]-3:N-3:	C[5,5a]-3:N[5a]-2:C[5]-3:	C[5]-3:H-1:H-1:	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NHH)	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	N(C[5]N[5,5a]N[5])(H)2	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NHH){1|C<3>,1|N<3>}	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	N(C[5]N[5,5a]N[5])(H)2	126.9610	0.000	1	126.9610	0.000	1	126.9610	0.000	1	126.9610	0.000	1	123.6977	9.422	4	122.6377	9.155	6
818	813	956	0:SP2_SP2_SP2	C[5]	N[5,5a]	N	3:3:3:	3:3:3:	3:4:1:	N[5,5a]-3:C[5,6]-3:N-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH)	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N)	N(C[5]N[5,5a]C[5,6])(CC3)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N){2|C<4>,3|C<3>}	N(C[5]N[5,5a]C[5,6])(CC3)(H)	123.1480	0.000	1	123.1480	0.000	1	123.1480	0.000	1	124.0500	1.627	2	123.6977	9.422	4	122.6377	9.155	6
818	813	956	0:SP2_SP2_SP2	C[5]	N[5,5a]	N	3:3:3:	3:3:3:	3:4:1:	N[5,5a]-3:C[5]-3:N-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(NCH)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N)	N(C[5]N[5,5a]C[5])(CC3)(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(NCH){1|H<1>,1|O<1>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N){2|H<1>,3|C<3>}	N(C[5]N[5,5a]C[5])(CC3)(H)	124.9520	0.000	1	124.9520	0.000	1	124.9520	0.000	1	124.0500	1.627	2	123.6977	9.422	4	122.6377	9.155	6
818	813	956	0:SP2_SP2_SP2	C[5]	N[5,6a]	N	3:2:3:	3:3:3:	3:4:1:	N[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5])(NCH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]N[5,6a]N[5])(CC3)(H)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5])(NCH){1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	N(C[5]N[5,6a]N[5])(CC3)(H)	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	120.5175	4.024	2	122.6377	9.155	6
818	813	956	0:SP2_SP2_SP2	C[5]	N[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	N[5,6a]-3:C[5]-3:N-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(NHH)	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]N)	N(C[5]N[5,6a]C[5])(H)2	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(NHH){1|H<1>,1|O<1>,3|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]N){1|H<1>,1|O<1>,4|C<3>}	N(C[5]N[5,6a]C[5])(H)2	119.0990	0.000	1	119.0990	0.000	1	119.0990	0.000	1	119.0990	0.000	1	120.5175	4.024	2	122.6377	9.155	6
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:2:2:	2:2:3:	3:2:	N[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](N[5a]N[5a]2)(N[5]N[5])2	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2)	N[5](C[5]N[5a]N[5])(N[5]N[5])	C[5](N[5a]N[5a]2)(N[5]N[5])2{1|C<3>,1|O<2>}	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2){1|O<1>,2|N<2>}	N[5](C[5]N[5a]N[5])(N[5]N[5]){2|N<2>}	122.1385	1.330	2	122.1385	1.769	2	122.1385	1.769	2	122.1385	1.769	2	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:2:2:	3:2:3:	3:2:	N[5a]-3:N[5]-2:N[5]-2:	C[5a,5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-2:	C[5](N[5a]C[5a,5a]N[5a])(N[5]N[5])2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2)	N[5](C[5]N[5a]N[5])(N[5]N[5])	C[5](N[5a]C[5a,5a]N[5a])(N[5]N[5])2{3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2){3|N<2>,3|N<3>}	N[5](C[5]N[5a]N[5])(N[5]N[5]){1|C<3>,1|N<2>}	122.5582	1.243	6	122.5582	1.544	6	122.5582	1.544	6	122.7258	1.292	28	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:2:2:	3:2:3:	3:2:	N[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](N[5a]C[5a]N[5a])(N[5]N[5])2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2)	N[5](C[5]N[5a]N[5])(N[5]N[5])	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2{1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2){2|N<2>,2|N<3>}	N[5](C[5]N[5a]N[5])(N[5]N[5]){1|C<3>,1|N<2>}	122.8692	1.359	6	122.8692	1.848	6	122.7715	1.284	22	122.7258	1.292	28	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:2:2:	3:2:3:	3:2:	N[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](N[5a]C[5a]N[5a])(N[5]N[5])2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2)	N[5](C[5]N[5a]N[5])(N[5]N[5])	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2{1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2){1|N<3>,2|N<2>}	N[5](C[5]N[5a]N[5])(N[5]N[5]){1|C<3>,1|N<2>}	122.6252	1.029	12	122.6252	1.060	12	122.7715	1.284	22	122.7258	1.292	28	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:2:2:	3:2:3:	3:2:	N[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](N[5a]C[5a]N[5a])(N[5]N[5])2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]N[5a]N[5])(N[5]N[5])	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2{3|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2){2|N<2>}	N[5](C[5]N[5a]N[5])(N[5]N[5]){1|C<3>,1|N<2>}	123.0640	1.342	4	123.0640	1.802	4	122.7715	1.284	22	122.7258	1.292	28	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:2:2:	3:3:3:	3:2:	N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](N[5a]C[5a]2)(N[5]N[5])2	N[5a](C[5a]N[5a]H)2(C[5]N[5]2)	N[5](C[5]N[5a]N[5])(N[5]N[5])	C[5](N[5a]C[5a]2)(N[5]N[5])2{2|H<1>,2|N<2>}	N[5a](C[5a]N[5a]H)2(C[5]N[5]2){2|N<2>}	N[5](C[5]N[5a]N[5])(N[5]N[5]){2|C<3>}	122.7280	0.639	4	122.7280	0.408	4	122.7280	0.408	4	122.7280	0.408	4	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:	3:2:3:	3:3:	N[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](N[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2)	N[5](C[5]N[5a]N[5])(N[5]C[5]H)	C[5](N[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|H<1>,1|S<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	N[5](C[5]N[5a]N[5])(N[5]C[5]H){1|C<3>,1|N<2>,1|N<3>,1|S<1>}	124.5270	0.000	1	124.5270	0.000	1	124.5270	0.000	1	124.5270	0.000	1	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:	3:3:3:	3:2:	N[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[5a]-3:	C[5]-3:S[5]-2:	C[5](N[5a]C[5a]2)(C[5]S[5]H)(N[5]S[5])	N[5a](C[5a]S[5a]C[4])(C[5]C[5]N[5])(C[5a]N[5a]C)	N[5](C[5]N[5a]C[5])(S[5]S[5])	C[5](N[5a]C[5a]2)(C[5]S[5]H)(N[5]S[5]){1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a]S[5a]C[4])(C[5]C[5]N[5])(C[5a]N[5a]C){1|H<1>,4|S<2>}	N[5](C[5]N[5a]C[5])(S[5]S[5]){1|H<1>,2|C<3>}	116.8920	0.000	1	116.8920	0.000	1	116.8920	0.000	1	116.8920	0.000	1	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5]-3:	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5])	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H)	N[5](C[5]N[5a]C[5])(C[5]C[5]H)	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	N[5](C[5]N[5a]C[5])(C[5]C[5]H){1|H<1>,3|C<3>}	118.7810	0.000	1	118.7810	0.000	1	119.5315	1.127	2	120.9168	1.941	5	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5]-3:	C[5](N[5a]C[5a]2)(C[5]C[5]H)(N[5]C[5])	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2	N[5](C[5]N[5a]C[5])(C[5]C[5]C)	C[5](N[5a]C[5a]2)(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2{2|H<1>,3|C<3>}	N[5](C[5]N[5a]C[5])(C[5]C[5]C){2|C<3>,2|H<1>}	120.2820	0.000	1	120.2820	0.000	1	119.5315	1.127	2	120.9168	1.941	5	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5a]-3:C[5]-3:N[5]-2:	C[5a,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-3:	C[5](N[5a]C[5a,5a]C[5a])(C[5]C[5]C)(N[5]C[5])	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C)	N[5](C[5]N[5a]C[5])(C[5]C[5]2)	C[5](N[5a]C[5a,5a]C[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C){1|H<1>,6|C<3>}	N[5](C[5]N[5a]C[5])(C[5]C[5]2){1|H<1>,1|N<2>,4|C<3>}	121.7985	0.482	2	121.7985	0.232	2	121.7985	0.232	2	120.9168	1.941	5	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-3:	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5])	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H)	N[5](C[5]N[5a]C[5])(C[5]C[5]H)	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,6|C<3>}	N[5](C[5]N[5a]C[5])(C[5]C[5]H){1|H<1>,3|C<3>}	121.9240	0.000	1	121.9240	0.000	1	121.9240	0.000	1	120.9168	1.941	5	122.3944	2.269	43	122.3944	2.269	43
818	813	960	0:SP2_SP2_SP2	C[5]	N[5a]	N[5]	3:4:2:	3:3:3:	3:3:	N[5a]-3:C[5]-4:N[5]-2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.7225	0.155	2	122.7225	0.024	2	122.7225	0.024	2	122.7225	0.024	2	122.3944	2.269	43	122.3944	2.269	43
818	813	960	5:SP2_SP2_SP2	C[5]	N[5,5a]	N[5]	3:2:3:	3:3:3:	4:3:	N[5,5a]-3:N[5]-2:N-3:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](N[5,5a]C[5a,6]N[5,5a])(N[5]S[5])(NCC)	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N)	N[5](S[5]N[5,5a]OO)(C[5]N[5,5a]N)	C[5](N[5,5a]C[5a,6]N[5,5a])(N[5]S[5])(NCC){1|C<4>,2|C<3>,2|O<1>}	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N){2|C<4>,2|H<1>,3|O<1>}	N[5](S[5]N[5,5a]OO)(C[5]N[5,5a]N){2|C<3>}	116.7980	0.000	1	116.7980	0.000	1	116.7980	0.000	1	116.7980	0.000	1	116.7980	0.000	1	113.4645	22.224	2
818	813	960	5:SP2_SP2_SP2	C[5]	N[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	N[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5])(NCH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]N)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5])(NCH){1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	N[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]N){1|N<2>,3|C<3>}	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	113.4645	22.224	2
818	813	976	0:SP2_SP2_SP2	C[5,6]	N[5a,6]	O[5]	3:3:2:	3:3:3:	3:3:	N[5a,6]-3:N[5,6]-3:O[5]-2:	C[5a,6,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H)	O[5](C[5,6]N[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H){1|B<4>,1|H<1>,4|C<3>}	O[5](C[5,6]N[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	121.2130	0.000	1	121.2130	0.000	1	121.2130	0.000	1	121.2130	0.000	1	121.2130	0.000	1	121.2130	0.000	1
818	813	976	5:SP2_SP2_SP2	C[5]	N[5,5a]	O[5]	3:2:1:	3:3:3:	4:3:	N[5,5a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	B[5]-4:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]B[5])(O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O)	O[5](B[5]C[5,5a]FF)(C[5]N[5,5a]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]B[5])(O){2|F<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	O[5](B[5]C[5,5a]FF)(C[5]N[5,5a]O){2|C<3>}	110.6785	0.213	2	110.6785	0.045	2	110.6785	0.045	2	110.6785	0.045	2	110.6785	0.045	2	110.6785	0.045	2
818	813	976	5:SP2_SP2_SP3	C[5]	N[5,5a]	O[5]	3:2:1:	3:3:3:	4:3:	N[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](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O)	N[5,5a](C[5a,6a]C[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]N[5,5a]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O){2|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]O){2|C<3>}	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1
818	813	977	0:SP2_SP-NON_SP2	C[5]	N[5,5a]	S	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5,6a]-3:S-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]N[5,6a]C[6a])(S)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,6a]N[5a])(C[5]C[5,6a]S)	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>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,6a]N[5a])(C[5]C[5,6a]S){1|H<1>,4|C<3>}	S(C[5]C[5,6a]N[5,5a])	125.3100	0.000	1	125.3100	0.000	1	125.3100	0.000	1	125.3100	0.000	1	125.3100	0.000	1	126.8191	0.545	7
818	813	977	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	S	3:2:1:	3:3:3:	3:	N[5,6a]-3:S[5]-2:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(S)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S)	S(C[5]N[5,6a]S[5])	C[5](N[5,6a]C[5,6a]C[6a])(S[5]N[5])(S){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,1|H<1>,1|O<2>}	S(C[5]N[5,6a]S[5])	126.6340	0.000	2	126.6340	0.000	2	126.6340	0.000	2	126.6340	0.000	2	127.0707	0.122	6	126.8191	0.545	7
818	813	977	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	S	3:3:1:	3:3:3:	3:	N[5,6a]-3:N[5]-3:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	S(C[5]N[5,6a]N[5])	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S){2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,3|H<1>}	S(C[5]N[5,6a]N[5])	127.3167	0.124	3	127.3167	0.015	3	127.2890	0.013	4	127.2890	0.013	4	127.0707	0.122	6	126.8191	0.545	7
818	813	977	0:SP2_SP-NON_SP2	C[5]	N[5,6a]	S	3:3:1:	3:3:3:	3:	N[5,6a]-3:N[5]-3:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(S)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S)	S(C[5]N[5,6a]N[5])	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(S){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,2|H<1>}	S(C[5]N[5,6a]N[5])	127.2060	0.000	1	127.2060	0.000	1	127.2890	0.013	4	127.2890	0.013	4	127.0707	0.122	6	126.8191	0.545	7
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H)	C[5](C[5,5]C[5,5]2)(C[5]C[6a]N[5])(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]2)(C[5]C[6a]N[5])(H){1|C<4>,4|C<3>}	147.5710	0.048	2	147.5710	0.002	2	137.8468	57.238	6	136.7944	44.699	8	136.7944	44.699	8	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H){1|Se<2>,2|C<3>}	132.9847	0.915	4	132.9847	0.837	4	137.8468	57.238	6	136.7944	44.699	8	136.7944	44.699	8	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2)	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2){1|Se<2>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H){1|Se<2>,2|C<3>}	133.6370	0.346	2	133.6370	0.120	2	133.6370	0.120	2	136.7944	44.699	8	136.7944	44.699	8	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5,5]-3:C[5]-3:	C[6,6a]-3:C[5,5]-3:N[5,6]-3:	C[5,5]-3:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(N[5,6]C[5]C[6])	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O)	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(N[5,6]C[5]C[6]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	142.0450	0.000	1	142.0450	0.000	1	142.0450	0.000	1	136.4730	62.094	2	137.2833	33.017	3	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[5]-3:	C[5,5]-3:N[5,6]-3:C[6]-3:	C[5,5]-3:C[5]-3:H-1:	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)	C[5](C[5,5]N[5,5,6]C[5,6])(C[5]N[5,6]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){1|In<6>,2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	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[5](C[5,5]N[5,5,6]C[5,6])(C[5]N[5,6]H)(H){2|In<6>,1|C<3>,1|N<3>}	130.9010	0.000	1	130.9010	0.000	1	130.9010	0.000	1	136.4730	62.094	2	137.2833	33.017	3	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5,6]	C[5]	3:4:3:	3:3:4:	3:3:1:	C[5,6]-3:C[5,5]-4:C[5]-3:	C[6,6a]-3:C[5,5]-3:C[5,6]-4:	C[5,5]-3:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[6a]C[5])(O)	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	138.9040	0.000	1	138.9040	0.000	1	138.9040	0.000	1	138.9040	0.000	1	137.2833	33.017	3	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5])(O[5]C[5,5])(O)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O){1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5,5])(O){1|C<3>,1|N<2>,3|C<4>}	144.0930	0.000	1	144.0930	0.000	1	144.0930	0.000	1	144.0930	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:3:2:	3:4:4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:O-2:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|O<2>,4|C<3>}	142.1420	0.000	1	142.1420	0.000	1	142.1420	0.000	1	142.1420	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:N[5]-3:	C[5,5]-3:N[5,6]-3:O-1:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(N[5,6]C[5,6]C[6])(O)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(N[5,6]C[5,6]C[6])(O){1|H<1>,1|N<3>,4|C<3>}	140.7310	0.000	1	140.7310	0.000	1	140.7310	0.000	1	140.7310	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<2>,3|C<3>}	144.4920	0.738	2	144.4920	0.545	2	144.4920	0.545	2	144.4920	0.545	2	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|N<2>,2|C<3>}	144.3030	0.000	1	144.3030	0.000	1	144.3030	0.000	1	144.3030	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:N-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|B<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H){1|H<1>,1|N<3>,2|C<4>}	141.4700	0.000	1	141.4700	0.000	1	142.4433	0.940	3	142.4433	0.940	3	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:N-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<4>}	142.9300	0.677	2	142.9300	0.459	2	142.4433	0.940	3	142.4433	0.940	3	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	139.5660	0.000	1	139.5660	0.000	1	137.4697	4.760	6	137.4697	4.760	6	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	136.8240	0.000	1	136.8240	0.000	1	137.4697	4.760	6	137.4697	4.760	6	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	136.8275	1.125	2	136.8275	1.266	2	137.4697	4.760	6	137.4697	4.760	6	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|C<4>,3|C<3>}	134.4810	0.000	1	134.4810	0.000	1	137.4697	4.760	6	137.4697	4.760	6	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCC)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCC){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	140.2920	0.000	1	140.2920	0.000	1	137.4697	4.760	6	137.4697	4.760	6	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	140.3540	0.000	1	140.3540	0.000	1	139.5377	0.641	3	139.5377	0.641	3	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	138.7540	0.000	1	139.1295	0.282	2	139.5377	0.641	3	139.5377	0.641	3	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	139.5050	0.000	1	139.1295	0.282	2	139.5377	0.641	3	139.5377	0.641	3	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:4:	3:4:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:C-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC){1|C<3>,3|C<4>}	141.3080	0.000	1	141.3080	0.000	1	141.3080	0.000	1	141.3080	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	4:3:4:	3:3:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-3:C-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|H<1>,3|C<4>}	141.0920	0.000	1	141.0920	0.000	1	141.0920	0.000	1	141.0920	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:	3:2:4:	3:2:1:	C[5,5,6]-4:C[5]-3:C[5]-3:	C[5,5]-3:O[5]-2:C-4:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]C)(C[5]O[5]O)	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])(CH3)	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5])(O)	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]C)(C[5]O[5]O){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5])(O){1|O<2>,2|H<1>,3|C<4>}	129.4880	0.000	1	129.4880	0.000	1	129.4880	0.000	1	129.4880	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:	3:2:4:	3:3:1:	C[5,5,6]-4:C[5]-3:C[5]-3:	C[5,5]-3:N[5]-2:C-4:	C[5,5]-3:C[5]-3:Br-1:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Br)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C){1|Br<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3){2|Br<1>,1|C<3>,1|N<2>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Br){1|N<2>,3|C<4>}	145.3710	0.000	1	145.3710	0.000	1	145.3710	0.000	1	145.3710	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]P[5]C)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]S[5]H)(H)	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,1|W<6>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(N[5]P[5]C)(H){1|C<3>,1|C<4>,1|S<2>,1|W<6>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]S[5]H)(H){1|N<3>,1|P<4>,2|H<1>}	134.4240	0.000	1	134.4240	0.000	1	134.4240	0.000	1	134.4240	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:O-1:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O){8|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(O){7|C<3>}	130.4530	0.000	1	130.4530	0.000	1	130.4530	0.000	1	130.4530	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{1|O<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	136.6640	0.000	1	137.0820	0.349	2	137.0820	0.349	2	137.0820	0.349	2	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{2|F<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,8|C<3>}	137.5000	0.000	1	137.0820	0.349	2	137.0820	0.349	2	137.0820	0.349	2	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:	3:3:4:	3:3:3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5]-3:O[5]-3:C-3:	C[5,5](C[5,5]C[5,6a]B[5]H)(C[5]C[5,6a]C)(C[5]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH)	C[5](C[5,5]C[5,5]C[5])(O[5]B[5]Li)(CC[6a]C)	C[5,5](C[5,5]C[5,6a]B[5]H)(C[5]C[5,6a]C)(C[5]O[5]C){1|Li<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH){1|B<4>,1|O<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(O[5]B[5]Li)(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	133.9240	0.000	1	133.9240	0.000	1	133.9240	0.000	1	133.9240	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(O){2|C<4>,4|H<1>}	135.9540	0.000	1	135.9540	0.000	1	135.9540	0.000	1	135.9540	0.000	1	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	4:3:3:	3:4:3:	3:3:2:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5]-3:C[5]-3:C-2:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]O[5]N)(CN)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|O<2>,2|C<2>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]O[5]N)(CN){2|C<3>,2|C<4>}	144.7925	0.370	2	144.7925	0.137	2	144.7925	0.137	2	144.7925	0.137	2	139.5592	18.642	30	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,3|C<4>,7|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,3|C<4>}	135.5380	0.000	1	135.5380	0.000	1	135.3105	0.065	6	135.3105	0.065	6	135.3105	0.065	6	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,3|C<4>}	135.1892	0.223	4	135.2650	0.066	5	135.3105	0.065	6	135.3105	0.065	6	135.3105	0.065	6	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,3|C<4>}	135.5680	0.000	1	135.2650	0.066	5	135.3105	0.065	6	135.3105	0.065	6	135.3105	0.065	6	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6,6]	C[5]	3:3:3:	4:4:3:	3:3:3:	C[5,6,6]-3:C[5,6]-3:C[5]-3:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5])	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5])	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5]){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	131.7220	0.000	1	131.7220	0.000	1	131.7220	0.000	1	131.7220	0.000	1	131.7220	0.000	1	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:Cl-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)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl)	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>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl){1|H<1>,5|C<3>}	135.8120	0.000	1	135.8120	0.000	1	135.8120	0.000	1	131.6325	4.203	6	131.1426	3.640	22	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){1|C<4>,6|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,1|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,5|C<3>}	130.9280	0.000	1	130.9280	0.000	1	130.9280	0.000	1	131.6325	4.203	6	131.1426	3.640	22	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|C<4>,1|H<1>,4|C<3>}	130.7705	0.139	2	130.7705	0.019	2	130.7705	0.019	2	131.6325	4.203	6	131.1426	3.640	22	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5,6]-3:C[5]-3:	N[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O)	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O)	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	130.7570	0.100	2	130.7570	0.010	2	130.7570	0.010	2	131.6325	4.203	6	131.1426	3.640	22	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:4:	3:4:1:	C[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,3|C<4>}	131.5030	0.000	1	131.5030	0.000	1	131.5030	0.000	1	131.5030	0.000	1	131.1426	3.640	22	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5])	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){9|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]){1|H<1>,2|O<1>,7|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,6|C<3>}	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	131.1426	3.640	22	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H){3|C<3>,3|C<4>}	130.4745	0.408	6	130.4745	0.166	6	130.9879	0.541	12	130.9879	0.541	12	131.1426	3.640	22	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]S[5]C)(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|C<3>,1|S<2>,2|F<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]S[5]C)(H){1|C<3>,3|C<4>}	132.0275	0.274	2	132.0275	0.075	2	130.9879	0.541	12	130.9879	0.541	12	131.1426	3.640	22	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]S[5]Fe)(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Fe<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]S[5]Fe)(H){1|C<3>,3|C<4>}	131.5630	0.619	2	131.5630	0.384	2	130.9879	0.541	12	130.9879	0.541	12	131.1426	3.640	22	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]S[5]Ru)(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Ru<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]S[5]Ru)(H){1|C<3>,3|C<4>}	130.9135	0.500	2	130.9135	0.250	2	130.9879	0.541	12	130.9879	0.541	12	131.1426	3.640	22	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|S<2>,2|C<3>,3|C<4>,4|F<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3){3|C<3>,3|C<4>}	133.4555	0.312	2	133.4555	0.097	2	133.4555	0.097	2	133.4555	0.097	2	131.1426	3.640	22	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){2|C<4>,2|H<1>,8|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2{1|H<1>,2|C<4>,8|C<3>}	136.0570	0.000	1	136.0570	0.000	1	136.0570	0.000	1	136.0570	0.000	1	136.0570	0.000	1	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:Se[5]-2:	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]C[5])(Se[5]Se[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]Se[5]C[5])(Se[5]Se[5])	C[5](C[5]C[5,5]Se[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	C[5,5](C[5,5]Se[5]C[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<2>,2|C<3>}	C[5](C[5]C[5,5]Se[5])(C[5]C[5]H)(Se[5]C[5]){2|Se<2>,1|C<3>,2|H<1>}	129.1390	0.000	1	129.1390	0.000	1	129.1390	0.000	1	129.1390	0.000	1	131.7520	28.882	3	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:4:3:	3:3:2:	3:2:2:	C[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-3:S[5]-2:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(C[5]S[5]2)	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]C[5])(S[5]C[5])	C[5](C[5]C[5,5]2)(S[5]C[5])2	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(C[5]S[5]2){1|S<2>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]C[5])(S[5]C[5]){1|C<3>,2|H<1>,4|S<2>}	C[5](C[5]C[5,5]2)(S[5]C[5])2{1|C<3>,1|C<4>,2|H<1>,3|S<2>}	128.1840	0.000	1	128.1840	0.000	1	128.1840	0.000	1	128.1840	0.000	1	131.7520	28.882	3	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:4:3:	3:3:4:	3:3:3:	C[5,5]-3:P[5]-4:C[5]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[5]C[5]N[5])	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5]C[5,5]P[5])(N[5]N[5]Pd)(C[5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[5]C[5]N[5]){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]P[5])(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,4|C<3>}	137.9330	0.000	1	137.9330	0.000	1	137.9330	0.000	1	137.9330	0.000	1	131.7520	28.882	3	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:S[5]-2:S[5]-2:	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)	C[5](C[5]C[5,6]2)(S[5]C[5])2	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>}	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[5](C[5]C[5,6]2)(S[5]C[5])2{1|S<2>,1|S<3>,4|C<3>}	126.6500	0.091	2	126.6500	0.008	2	126.6500	0.008	2	126.6283	0.006	3	126.6283	0.006	3	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:S[5]-2:S[5]-2:	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)	C[5](C[5]C[5,6a]C[5,6])(S[5]C[5])2	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>}	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[5](C[5]C[5,6a]C[5,6])(S[5]C[5])2{2|S<2>,4|C<3>}	126.5850	0.000	1	126.5850	0.000	1	126.5850	0.000	1	126.6283	0.006	3	126.6283	0.006	3	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-2:S[5]-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]S[5])(C[5]S[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]S[5])(S[5]C[5])	C[5](C[5]C[5]S[5])(S[5]C[5])(H)	C[5](C[5]C[5]S[5])(C[5]S[5]H)(S[5]C[5]){1|S<2>,2|C<3>}	C[5](C[5]C[5]S[5])(C[5]S[5])(S[5]C[5]){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]S[5])(S[5]C[5])(H){1|C<2>,1|C<3>,1|S<2>}	124.6630	0.000	1	124.6630	0.000	1	124.6630	0.000	1	124.5824	1.443	42	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:S[5]-2:S[5]-2:	C[5]-3:S[5]-2:S-1:	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(S[5]C[5,5])2	C[5](C[5]C[5]S[5])(S[5]C[5])(S)	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5]){3|C<3>}	C[5](C[5]C[5]S[5])(S[5]C[5,5])2{1|C<3>,1|S<1>,1|S<2>,2|C<4>}	C[5](C[5]C[5]S[5])(S[5]C[5])(S){1|C<3>,2|S<2>}	125.6142	0.936	4	125.6142	0.876	4	124.7352	0.989	34	124.5824	1.443	42	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:S[5]-2:S[5]-2:	C[5]-3:S[5]-2:S-1:	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(S[5]C[5,5a])2	C[5](C[5]C[5]S[5])(S[5]C[5])(S)	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5]){3|C<3>}	C[5](C[5]C[5]S[5])(S[5]C[5,5a])2{1|C<3>,1|S<1>,3|S<2>}	C[5](C[5]C[5]S[5])(S[5]C[5])(S){1|C<3>,2|S<2>}	124.2845	1.835	2	124.2845	3.367	2	124.7352	0.989	34	124.5824	1.443	42	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:S[5]-2:S[5]-2:	C[5]-3:S[5]-2:S-1:	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(S[5]C[5,6])2	C[5](C[5]C[5]S[5])(S[5]C[5])(S)	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5]){3|C<3>}	C[5](C[5]C[5]S[5])(S[5]C[5,6])2{1|C<3>,1|S<1>,3|S<2>}	C[5](C[5]C[5]S[5])(S[5]C[5])(S){1|C<3>,2|S<2>}	123.9907	0.013	3	124.5946	0.527	19	124.7352	0.989	34	124.5824	1.443	42	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:S[5]-2:S[5]-2:	C[5]-3:S[5]-2:S-1:	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(S[5]C[5,6])2	C[5](C[5]C[5]S[5])(S[5]C[5])(S)	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5]){3|C<3>}	C[5](C[5]C[5]S[5])(S[5]C[5,6])2{2|Se<2>,1|C<3>,1|S<1>,1|S<2>}	C[5](C[5]C[5]S[5])(S[5]C[5])(S){1|C<3>,2|S<2>}	124.7079	0.739	16	124.5946	0.527	19	124.7352	0.989	34	124.5824	1.443	42	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:S[5]-2:S[5]-2:	C[5]-3:S[5]-2:S-1:	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(S[5]C[5])2	C[5](C[5]C[5]S[5])(S[5]C[5])(S)	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5]){3|C<3>}	C[5](C[5]C[5]S[5])(S[5]C[5])2{1|C<3>,1|S<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5]S[5])(S[5]C[5])(S){1|C<3>,2|S<2>}	124.6639	1.354	8	124.7413	1.659	9	124.7352	0.989	34	124.5824	1.443	42	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:S[5]-2:S[5]-2:	C[5]-3:S[5]-2:S-1:	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(S[5]C[5])2	C[5](C[5]C[5]S[5])(S[5]C[5])(S)	C[5](C[5]S[5]2)(C[5]S[5]S)(S[5]C[5]){3|C<3>}	C[5](C[5]C[5]S[5])(S[5]C[5])2{1|C<3>,1|S<1>,1|S<2>,2|I<1>}	C[5](C[5]C[5]S[5])(S[5]C[5])(S){1|C<3>,2|S<2>}	125.3610	0.000	1	124.7413	1.659	9	124.7352	0.989	34	124.5824	1.443	42	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:Se[5]-2:Se[5]-2:	C[5]-3:S[5]-2:S-1:	C[5](C[5]Se[5]2)(C[5]S[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(Se[5]C[5])2	C[5](C[5]C[5]S[5])(S[5]C[5])(S)	C[5](C[5]Se[5]2)(C[5]S[5]S)(S[5]C[5]){3|C<3>}	C[5](C[5]C[5]S[5])(Se[5]C[5])2{1|C<3>,1|S<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5]S[5])(S[5]C[5])(S){2|Se<2>,1|C<3>}	123.8289	1.905	7	123.8289	3.629	7	123.8289	3.629	7	124.5824	1.443	42	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:N[5]-2:O[5]-2:	C[5]-3:S[5]-2:S-2:	C[5](C[5]N[5]O[5])(C[5]S[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5])(O[5]C[5])	C[5](C[5]C[5]S[5])(S[5]C[5])(SC)	C[5](C[5]N[5]O[5])(C[5]S[5]S)(S[5]C[5]){1|C<3>,2|C<4>}	C[5](C[5]C[5]S[5])(N[5]C[5])(O[5]C[5]){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	C[5](C[5]C[5]S[5])(S[5]C[5])(SC){1|C<3>,1|N<2>,1|O<2>}	127.1460	4.040	2	127.1460	16.325	2	127.1460	16.325	2	127.1460	16.325	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:N[5]-2:Cl-1:	C[5](C[5]C[5]S[5])(C[5]N[5]Cl)(S[5]S[5])	C[5](C[5]C[5]S[5])(C[5]N[5]Cl)(S[5]S[5])	C[5](C[5]C[5]S[5])(N[5]S[5])(Cl)	C[5](C[5]C[5]S[5])(C[5]N[5]Cl)(S[5]S[5]){1|Cl<1>,1|N<2>,1|S<2>}	C[5](C[5]C[5]S[5])(C[5]N[5]Cl)(S[5]S[5]){1|Cl<1>,1|N<2>,1|S<2>}	C[5](C[5]C[5]S[5])(N[5]S[5])(Cl){1|C<3>,1|S<2>}	127.1142	0.290	6	127.1142	0.084	6	127.1142	0.084	6	126.8847	0.313	8	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]S[5])(C[5]S[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]S[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(S[5]C[5])(H)	C[5](C[5]C[5]S[5])(C[5]S[5]H)(S[5]C[5]){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]S[5])(C[5]S[5]H)(S[5]C[5]){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]S[5])(S[5]C[5])(H){1|S<2>,2|C<3>}	126.1965	0.713	2	126.1965	0.509	2	126.1965	0.509	2	126.8847	0.313	8	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:2:3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:N[5]-2:	C[5]-3:N[5]-2:N-3:	C[5](C[5]N[5]2)(C[5]N[5]N)(N[5]N[5])	C[5](C[5]C[5]N[5])(N[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5]N[5])(N[5]N[5])(NOO)	C[5](C[5]N[5]2)(C[5]N[5]N)(N[5]N[5]){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(N[5]N[5]){1|H<1>,1|N<3>,3|N<2>}	C[5](C[5]C[5]N[5])(N[5]N[5])(NOO){1|N<2>,1|N<3>}	135.3020	0.000	1	135.3020	0.000	1	135.3020	0.000	1	135.3020	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:2:4:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:Se[5]-2:C-4:	C[5](C[5]C[5]N[5])(C[5]Se[5]C)(N[5]N[5])	C[5](C[5]C[5]N[5])(C[5]Se[5]C)(N[5]N[5])	C[5](C[5]C[5]N[5])(Se[5]N[5])(CCHH)	C[5](C[5]C[5]N[5])(C[5]Se[5]C)(N[5]N[5]){1|Se<2>,1|C<4>,1|N<2>}	C[5](C[5]C[5]N[5])(C[5]Se[5]C)(N[5]N[5]){1|Se<2>,1|C<4>,1|N<2>}	C[5](C[5]C[5]N[5])(Se[5]N[5])(CCHH){1|C<3>,1|N<2>}	126.7175	2.754	2	126.7175	7.586	2	126.7175	7.586	2	126.7175	7.586	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(Br)	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(N[5]C[5]){2|Br<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(N[5]C[5]){2|Br<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(Br){1|N<2>,2|C<3>}	138.5110	0.897	2	138.5110	0.804	2	138.5110	0.804	2	128.3689	17.367	24	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]N[5])(C[5]C[5]Cl)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]Cl)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]O)(Cl)	C[5](C[5]C[5]N[5])(C[5]C[5]Cl)(N[5]C[5]){1|Cl<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]Cl)(N[5]C[5]){1|Cl<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]O)(Cl){1|N<2>,2|C<3>}	134.0280	0.658	2	134.0280	0.432	2	134.0280	0.432	2	128.3689	17.367	24	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|N<2>,2|C<3>}	128.3160	0.000	1	128.3160	0.000	1	126.5706	1.506	9	128.3689	17.367	24	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H){1|C<3>,1|N<2>,1|N<3>}	126.9055	0.180	2	126.9055	0.033	2	126.5706	1.506	9	128.3689	17.367	24	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|N<2>,2|C<3>}	126.1680	1.247	6	126.1680	1.554	6	126.5706	1.506	9	128.3689	17.367	24	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]O[5])(C[5]C[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]S[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]O[5])(C[5]C[5]H)(S[5]C[5]){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]S[5])(N[5]C[5]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]S[5])(C[5]C[5]H)(H){1|N<3>,1|O<1>,1|O<2>}	128.6270	0.000	1	128.6270	0.000	1	128.6270	0.000	1	128.3689	17.367	24	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:S[5]-2:	N[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:O-1:	C[5](C[5]N[5]S[5])(C[5]C[5]O)(S[5]C[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]S[5])(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]C[5]C)(O)	C[5](C[5]N[5]S[5])(C[5]C[5]O)(S[5]C[5]){1|N<2>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]S[5])(S[5]C[5]){1|C<4>,1|O<1>,5|C<3>}	C[5](C[5]C[5]S[5])(C[5]C[5]C)(O){1|N<2>,1|N<3>,1|S<2>}	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	128.3689	17.367	24	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]Se[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]C[5])(Se[5]Se[5])	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]Se[5])(C[5]C[5]H)(Se[5]C[5]){2|Se<2>,1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H){1|Se<2>,1|C<3>,1|H<1>}	126.2790	0.000	1	126.2790	0.000	1	126.2790	0.000	1	128.3689	17.367	24	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H)	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H){1|Se<2>,2|C<3>}	127.6817	1.396	8	127.6817	1.949	8	127.6817	1.949	8	128.3689	17.367	24	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:N-2:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5,6a]N)(C[5]C[5]N[5])(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(NC[6a])	C[5](C[5]C[5,6a]N)(C[5]C[5]N[5])(N[5]C[5,6a])	C[5](C[5]C[5,6a]N)(C[5]C[5]N[5])(N[5]C[5,6a]){1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[5,6a]N)(C[5]C[5]N[5])(N[5]C[5,6a]){1|N<2>,4|C<3>}	123.6330	0.153	2	123.6330	0.023	2	123.6330	0.023	2	123.6330	0.023	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])2(N[5]O[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5])	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	C[5](C[5]C[5]N[5])2(N[5]O[5]){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	124.8360	0.779	2	124.8360	0.607	2	124.8360	0.607	2	128.8723	22.038	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5])	C[5](C[5]C[5]N[5])2(N[5]O[5])	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5]N[5])2(N[5]O[5]){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|C<3>,1|H<1>,3|N<2>}	132.9085	0.583	2	132.9085	0.340	2	132.9085	0.340	2	128.8723	22.038	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	130.0960	0.000	1	130.0960	0.000	1	130.0960	0.000	1	130.0960	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:4:3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]NiC)(CC[5a]C[6a])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){1|Ni<4>,2|C<4>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){1|Ni<4>,2|C<4>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]NiC)(CC[5a]C[6a]){1|N<2>,2|C<3>}	126.9335	1.654	2	126.9335	2.735	2	126.9335	2.735	2	126.9335	2.735	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	4:3:3:	C[5]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:Se[5]-2:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]P[5])(C[5]Se[5]C[5])(Se[5]Se[5])	C[5](C[5]C[6a]P[5])(C[5]Se[5]C[5])(Se[5]Se[5])	C[5](P[5]C[6a]Se[5]Se)(C[5]Se[5]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]P[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<1>,1|Se<2>,1|P<4>,4|C<3>}	C[5](C[5]C[6a]P[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<1>,1|Se<2>,1|P<4>,4|C<3>}	C[5](P[5]C[6a]Se[5]Se)(C[5]Se[5]C[5])(C[6a]C[6a]2){1|Se<2>,2|H<1>,5|C<3>}	125.2610	0.427	2	125.2610	0.182	2	125.2610	0.182	2	125.2610	0.182	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(C[5]S[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[5]S[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5]C[5]S[5])(S[5]C[5])(H){1|N<3>,2|C<3>}	129.2510	0.000	1	129.2510	0.000	1	129.2510	0.000	1	126.2108	4.182	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]N[5]2)(C[5]S[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5]H)2	C[5](C[5]C[5]S[5])(S[5]C[5])(H)	C[5](C[5]N[5]2)(C[5]S[5]H)(S[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]C[5]S[5])(N[5]C[5]H)2{1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5]S[5])(S[5]C[5])(H){1|C<3>,2|N<3>}	125.1973	0.334	3	125.1973	0.111	3	125.1973	0.111	3	126.2108	4.182	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]O[5])(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[5]O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5]C[5]O[5])(C[5]C[5]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>}	126.1190	0.925	2	126.1190	0.855	2	126.1190	0.855	2	126.8440	2.005	3	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5]C[5]S[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(S[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]S[5])(C[5]C[5]H)(N[5]N[5]H){1|Mg<6>,1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]S[5])(C[5]C[5]H)(H){1|C<3>,1|N<3>}	128.2940	0.000	1	128.2940	0.000	1	128.2940	0.000	1	126.8440	2.005	3	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:S[5]-2:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[5,6a]C[5])(C[5]C[6a]N[5])(S[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O)	C[5](C[5]C[5]S[5])(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5]C[5,6a]C[5])(C[5]C[6a]N[5])(S[5]N[5]){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]S[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,5|C<3>}	133.5420	0.000	1	133.5420	0.000	1	133.5420	0.000	1	133.5420	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])2(N[5]O[5])	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	C[5](C[5]C[5]N[5])2(N[5]O[5]){1|C<3>,1|N<2>,1|O<2>,2|N<3>,2|O<1>}	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>}	131.3060	0.000	1	131.3060	0.000	1	131.3060	0.000	1	129.4120	2.725	3	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5])	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5]){1|C<3>,1|N<3>,1|O<2>,2|N<2>,2|O<1>}	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	128.4650	0.264	2	128.4650	0.070	2	128.4650	0.070	2	129.4120	2.725	3	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	4:3:2:	C[5]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:N-2:	C[5](C[5]C[5,6a]2)(C[5]C[5,6]N)(N[5]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]N[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a])	C[5](C[5]C[5,6a]2)(C[5]C[5,6]N)(N[5]C[5,6]){1|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]N[5]){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a]){1|H<1>,4|C<3>}	132.8010	0.000	1	132.8010	0.000	1	132.8010	0.000	1	132.8010	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:4:	3:2:4:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:C[5]-4:	C[5]-3:S[5]-2:C-4:	C[5](C[5]C[5]2)(C[5]S[5]C)(S[5]C[5])	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5]C[5]S[5])(S[5]C[5])(CH3)	C[5](C[5]C[5]2)(C[5]S[5]C)(S[5]C[5]){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	C[5](C[5]C[5]S[5])(S[5]C[5])(CH3){1|C<4>,2|C<3>}	122.2450	0.000	1	122.2450	0.000	1	122.2450	0.000	1	122.2450	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<4>,2|C<3>}	125.4720	0.011	2	125.4720	0.000	2	125.4720	0.000	2	125.9970	0.369	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:S[5]-2:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|Cl<1>,1|C<4>,3|C<3>}	126.5220	0.065	2	126.5220	0.004	2	126.5220	0.004	2	125.9970	0.369	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:C[5]-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5]C[5]S[5])(N[5]C[5]Mn)(CH3)	C[5](C[5]C[5]2)(C[5]N[5]C)(S[5]C[5]){1|Mn<6>,2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	C[5](C[5]C[5]S[5])(N[5]C[5]Mn)(CH3){1|C<4>,2|C<3>}	127.9690	0.000	1	127.9690	0.000	1	127.9690	0.000	1	127.9690	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:4:3:	4:3:1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]C[5]O)(N[5]N[5])	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]N[5])(O)	C[5](C[5]C[5]2)(C[5]C[5]O)(N[5]N[5]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,3|C<3>}	126.5710	0.000	1	126.5710	0.000	1	126.5710	0.000	1	126.5710	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:2:3:	3:3:2:	C[5]-3:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O[5])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5,6,6]CH)(O[5]C[5,5,6,6])(C[5]C[5]O[5])	C[5](C[5]C[5]O[5])(C[5]C[5]C)(OC)	C[5](C[5]C[5]O[5])(C[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6,6]CH)(O[5]C[5,5,6,6])(C[5]C[5]O[5]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|O<1>,1|O<2>}	132.1820	0.000	1	132.1820	0.000	1	132.1820	0.000	1	132.1820	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]2)(C[5]C[5]N)(O[5]N[5])	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5])(C[5]N[5]H)	C[5](C[5]C[5]O[5])(C[5]N[5]C)(NOO)	C[5](C[5]C[5]2)(C[5]C[5]N)(O[5]N[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5])(C[5]N[5]H){1|N<3>,1|N<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]O[5])(C[5]N[5]C)(NOO){1|C<3>,1|C<4>,2|H<1>}	139.9920	0.000	1	139.9920	0.000	1	139.9920	0.000	1	139.9920	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5])	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<4>}	131.8490	3.007	2	131.8490	9.040	2	133.2373	5.777	4	133.2373	5.777	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5])	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,5|C<4>}	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<4>}	134.6255	0.763	2	134.6255	0.582	2	133.2373	5.777	4	133.2373	5.777	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-2:S[5]-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]O[5]O)	C[5](C[5]C[5]2)(C[5]C[5])(S[5]C[5])	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]O[5]O){1|O<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5]2)(C[5]C[5])(S[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<2>,1|C<3>,1|O<1>,1|S<2>}	120.9720	0.000	1	120.9720	0.000	1	120.9720	0.000	1	120.9720	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:2:	3:2:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:N[5]-2:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]2)(C[5]N[5]C)(N[5]O[5]O)	C[5](C[5]C[5]N[5])(N[5]N[5])2	C[5](C[5]C[5]N[5])(N[5]O[5])(CNN)	C[5](C[5]N[5]2)(C[5]N[5]C)(N[5]O[5]O){2|N<2>}	C[5](C[5]C[5]N[5])(N[5]N[5])2{1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5]C[5]N[5])(N[5]O[5])(CNN){1|O<1>,2|N<2>}	130.3190	0.000	1	130.3190	0.000	1	130.3190	0.000	1	130.3190	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:2:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:S[5]-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]S[5]2)	C[5](C[5]C[5,6a]C[5])(S[5]C[5])2	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]S[5]2){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(S[5]C[5])2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){2|C<3>,2|S<2>}	121.6770	0.000	1	121.6770	0.000	1	121.6770	0.000	1	121.6770	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:2:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:S[5]-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(C[5]S[5]2)	C[5](C[5]C[5]2)(S[5]C[5])2	C[5](C[5]N[5]CH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(C[5]S[5]2){1|H<1>,4|C<4>}	C[5](C[5]C[5]2)(S[5]C[5])2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]2)(O){1|C<4>,1|O<1>,2|S<2>}	127.3830	0.000	1	127.3830	0.000	1	127.3830	0.000	1	127.3830	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:2:4:	C[5]-3:C[5]-3:C[5]-3:	N[5]-3:S[5]-2:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]C[5]2)	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	130.8540	0.000	1	130.8540	0.000	1	130.8540	0.000	1	130.8540	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	N[5]-3:S[5]-2:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]C[5]2)	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O)	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	123.0880	0.000	1	123.0880	0.000	1	123.0880	0.000	1	123.0880	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5]C[5]O)(C[5]N[5]O)(C[5]S[5]2)	C[5](C[5]C[5]2)(N[5]C[5]C)(O)	C[5](C[5]C[5]2)(S[5]C[5])2	C[5](C[5]C[5]O)(C[5]N[5]O)(C[5]S[5]2){1|H<1>,4|C<4>}	C[5](C[5]C[5]2)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|S<2>}	C[5](C[5]C[5]2)(S[5]C[5])2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	124.3310	0.000	1	124.3310	0.000	1	124.3310	0.000	1	124.3310	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]C[5]H)(N[5]N[5]H){1|Mg<6>,1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H){1|Mg<6>,1|C<3>,1|H<1>,1|S<2>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(S[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	132.6330	0.000	1	132.6330	0.000	1	132.6330	0.000	1	132.6330	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]N)2(C[5]C[5]2)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2){2|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]N)2(C[5]C[5]2){2|O<1>,4|C<3>}	125.0820	0.000	1	125.0820	0.000	1	125.0820	0.000	1	126.0406	3.093	28	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]C[5]H)2	C[5](C[5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)2	C[5](C[5]C[5]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	125.7265	1.288	8	125.7265	1.660	8	125.7265	1.660	8	126.0406	3.093	28	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5]H)(H)	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|N<3>,4|H<1>}	C[5](C[5]C[5]2)(N[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|N<3>,4|H<1>}	127.3729	0.435	12	127.3729	0.189	12	127.3862	0.176	13	126.0406	3.093	28	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5]H)(H)	C[5](C[5]C[5]2)(C[5]N[5]N)2	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|H<1>,2|N<2>,2|N<3>}	C[5](C[5]C[5]2)(N[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]N)2{2|H<1>,2|N<3>}	127.5460	0.000	1	127.5460	0.000	1	127.3862	0.176	13	126.0406	3.093	28	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	124.6472	0.470	4	124.6472	0.221	4	123.7038	2.354	6	126.0406	3.093	28	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	122.2780	0.000	1	121.8170	0.425	2	123.7038	2.354	6	126.0406	3.093	28	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|O<1>,4|C<3>}	121.3560	0.000	1	121.8170	0.425	2	123.7038	2.354	6	126.0406	3.093	28	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]O[5])(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5]O[5])(C[5]C[5]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	127.2745	0.602	2	127.2745	0.362	2	127.2745	0.362	2	125.1430	13.811	3	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O[5]-2:	C[5]-3:S[5]-2:O-1:	C[5](C[5]N[5]O[5])(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[5]2)(N[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]2)(S[5]C[5])(O)	C[5](C[5]N[5]O[5])(C[5]C[5]H)(C[5]S[5]O){2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2)(S[5]C[5])(O){1|N<3>,1|O<2>,2|H<1>}	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	125.1430	13.811	3	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5a]-3:N[5]-2:	C[5]-3:N[5]-2:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5]N[5]2)(N[5]O[5]O)	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5])	C[5](C[5]C[5]N[5])(N[5]N[5])2	C[5](C[5]C[5a]N[5])(C[5]N[5]2)(N[5]O[5]O){4|N<2>}	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[5](C[5]C[5]N[5])(N[5]N[5])2{1|C<3>,1|N<2>,1|O<1>,1|O<2>}	135.6670	0.000	1	135.6670	0.000	1	135.6670	0.000	1	135.6670	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:2:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	C[5](C[5]C[5]N[5])2(N[5]O[5])	C[5](C[5]C[5]N[5])(N[5]O[5])(NHH)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>}	C[5](C[5]C[5]N[5])2(N[5]O[5]){1|C<3>,1|N<2>,1|O<2>,2|N<3>,2|O<1>}	C[5](C[5]C[5]N[5])(N[5]O[5])(NHH){1|C<3>,1|N<2>,1|O<1>}	130.1980	0.000	1	130.1980	0.000	1	130.1980	0.000	1	130.1980	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(O[5]C[5])	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	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](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|O<2>,3|C<3>}	127.3370	0.000	1	127.3370	0.000	1	127.3370	0.000	1	127.3354	33.831	8	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(C[5]C[6a]N[5])(S[5]N[5])	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[6a]N[5])(S[5]N[5]){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>}	114.9900	0.000	1	114.9900	0.000	1	114.9900	0.000	1	127.3354	33.831	8	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]O[5])(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[5]2)(N[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]2)(C[5]S[5]H)(H)	C[5](C[5]N[5]O[5])(C[5]C[5]H)(C[5]S[5]O){2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2)(C[5]S[5]H)(H){1|N<3>,1|O<1>,1|O<2>}	125.4040	0.000	1	125.4040	0.000	1	125.4040	0.000	1	127.3354	33.831	8	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]S[5]H)(S[5]C[5])	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5]C[5]N[5])(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|S<2>}	127.3630	0.000	1	127.3630	0.000	1	127.3630	0.000	1	127.3354	33.831	8	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:S[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]S[5])(N[5]C[5]Rh)(C[5]N[5]H)	C[5](N[5]C[5,6a]Rh)(C[5]C[5]N[5])(S[5]C[5,6a])	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]N[5]S[5])(N[5]C[5]Rh)(C[5]N[5]H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Rh)(C[5]C[5]N[5])(S[5]C[5,6a]){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Rh<8>,1|H<1>,1|N<3>,1|S<2>}	135.5390	0.000	1	135.5390	0.000	1	135.5390	0.000	1	127.3354	33.831	8	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(C[5]N[5]2)	C[5](C[5]C[5]N[5])(N[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(C[5]N[5]2){1|Ni<6>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]N[5])(N[5]C[5]O)(N[5]C[5]){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H){2|Ni<6>,1|N<2>,1|N<3>}	129.3500	0.776	3	129.3500	0.602	3	129.3500	0.602	3	127.3354	33.831	8	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5])	C[5](C[5]C[5]N[5])2(N[5]O[5])	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5]){1|C<3>,1|N<3>,1|O<2>,2|N<2>,2|O<1>}	C[5](C[5]C[5]N[5])2(N[5]O[5]){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	132.2315	0.275	2	132.2315	0.076	2	132.2315	0.076	2	132.2315	0.076	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5])2{9|C<3>}	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](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2){1|O<2>,2|H<1>,7|C<3>}	126.8735	3.287	2	126.8735	10.807	2	126.8735	10.807	2	126.8735	10.807	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O[5])(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]O[5]CH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O[5])(C[5]C[5]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5]O[5]CH)(C[5]C[5]2)(O){1|C<3>,1|O<1>,1|O<2>}	124.4005	0.100	2	124.4005	0.010	2	124.4005	0.010	2	124.4005	0.010	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|C<3>,1|H<1>,2|N<3>}	127.7055	0.261	2	127.7055	0.068	2	127.7055	0.068	2	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Cd)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Cd)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Cd)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Cd)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Cd<6>,1|C<3>,2|N<3>}	126.5643	0.686	4	126.5643	0.471	4	128.1736	2.522	50	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Co<6>,1|C<3>,2|N<3>}	128.3031	0.673	12	127.5046	4.512	14	128.1736	2.522	50	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H){1|Co<6>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H){1|Co<6>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Co<6>,1|N<3>,2|C<3>}	122.7140	0.346	2	127.5046	4.512	14	128.1736	2.522	50	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Fe)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Fe)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Fe)(C[5]S[5]H){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]Fe)(C[5]S[5]H){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	130.9010	1.413	2	130.9010	1.996	2	128.1736	2.522	50	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Hg)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Hg)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Hg)(C[5]S[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Hg)(C[5]S[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Hg<4>,1|C<3>,1|C<4>,1|N<3>}	128.0867	0.513	4	128.0867	0.264	4	128.1736	2.522	50	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Mg)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Mg)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Mg)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Mg)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Mg<6>,1|C<3>,2|N<3>}	128.6580	0.105	2	128.6580	0.011	2	128.1736	2.522	50	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Mn)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Mn)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Mn)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Mn)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Mn<6>,1|C<3>,2|N<3>}	128.1912	1.461	4	127.6823	1.910	6	128.1736	2.522	50	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Mn)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Mn)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Mn)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Mn)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Mn<7>,1|C<3>,2|N<3>}	126.6645	0.192	2	127.6823	1.910	6	128.1736	2.522	50	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Ni<6>,1|C<3>,2|N<3>}	128.7116	0.712	14	128.7116	0.508	14	128.1736	2.522	50	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Zn<5>,1|C<3>,2|N<3>}	129.4595	0.393	4	129.4595	0.154	4	128.1736	2.522	50	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]S[5]H)	C[5](N[5]C[5,6a]Co)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]S[5]H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Co<5>,1|H<1>,2|N<3>}	131.7085	0.600	2	131.7085	0.360	2	130.6577	1.286	6	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Fe)(C[5]N[5]2)(C[5]S[5]H)	C[5](N[5]C[5,6a]Fe)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](N[5]C[5]Fe)(C[5]N[5]2)(C[5]S[5]H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Fe<6>,1|H<1>,2|N<3>}	129.3445	0.496	2	129.3445	0.246	2	130.6577	1.286	6	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]S[5]H)	C[5](N[5]C[5,6a]Ni)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]S[5]H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Ni<6>,1|H<1>,2|N<3>}	130.9200	0.177	2	130.9200	0.031	2	130.6577	1.286	6	128.4144	2.881	58	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-2:S[5]-2:	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]O[5]O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5]2)(C[5]C[5])(S[5]C[5])	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]O[5]O){1|O<1>,1|S<2>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O){1|C<2>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]2)(C[5]C[5])(S[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	132.7060	0.000	1	132.7060	0.000	1	132.7060	0.000	1	132.7060	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[5]2)(C[5]N[5]N)2	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5])(NOO)	C[5](C[5]C[5]2)(C[5]N[5]N)2{2|H<1>,2|N<3>}	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|H<1>,2|N<2>,2|N<3>}	C[5](C[5]C[5]2)(N[5]N[5])(NOO){1|N<3>,2|C<3>}	130.5590	0.000	1	130.5590	0.000	1	130.5590	0.000	1	133.5927	4.496	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	C[5](C[5]C[5]N[5])(N[5]O[5])(NHN)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]N[5])(N[5]O[5])(NHN){1|C<3>,1|N<3>,1|O<1>}	134.9610	0.672	2	134.9610	0.451	2	134.6040	0.608	3	133.5927	4.496	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	C[5](C[5]C[5]N[5])(N[5]O[5])(NHH)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5]N[5])(N[5]O[5])(NHH){1|C<3>,1|N<3>,1|O<1>}	133.8900	0.000	1	133.8900	0.000	1	134.6040	0.608	3	133.5927	4.496	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	130.4180	0.000	1	130.4180	0.000	1	130.4180	0.000	1	128.4877	2.913	3	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(CH3){1|C<3>,1|H<1>,2|N<3>}	127.5225	0.487	2	127.5225	0.237	2	127.5225	0.237	2	128.4877	2.913	3	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]H)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H){1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H){1|S<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]H)(H){1|S<2>,3|C<3>}	125.0814	0.307	26	125.0814	0.094	26	125.0814	0.094	26	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[5])(H){6|C<3>}	126.6550	0.023	2	126.6550	0.001	2	126.6550	0.001	2	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(O){1|C<4>,5|C<3>}	121.4230	0.440	2	121.4230	0.193	2	121.4230	0.193	2	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	122.8840	0.010	2	122.8840	0.000	2	122.7728	0.035	4	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C[6])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.6615	0.237	2	122.6615	0.056	2	122.7728	0.035	4	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,5|C<3>}	122.0680	0.793	2	122.0680	0.629	2	122.0680	0.629	2	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O){1|C<4>,1|N<3>,3|C<3>}	122.7540	0.000	1	122.7540	0.000	1	122.7540	0.000	1	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[5]C[5]2)	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl)	C[5](C[5]C[5]Cl)2(C[5]N[5]2){2|Cl<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2(C[5]C[5]2){2|Cl<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl){2|Cl<1>,2|N<3>}	127.3295	1.675	6	127.3295	2.806	6	127.3295	2.806	6	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	134.2760	0.000	1	134.2760	0.000	1	134.2760	0.000	1	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	131.9340	0.000	1	132.3110	0.284	2	128.7272	17.681	4	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	132.6880	0.000	1	132.3110	0.284	2	128.7272	17.681	4	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	125.1435	1.177	2	125.1435	1.386	2	128.7272	17.681	4	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|C<4>}	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<3>}	133.5770	0.000	1	133.5770	0.000	1	133.5770	0.000	1	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]N[5]Cd)(C[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Cd)(C[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Cd)(C[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]N[5])(N[5]N[5]Cd)(C[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){1|Cd<7>,1|C<3>,1|C<4>,1|N<3>}	131.1885	0.121	2	131.1885	0.015	2	136.4589	17.203	10	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]C[6]N[5])(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	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>}	141.4105	0.899	2	141.4105	0.808	2	136.4589	17.203	10	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]C[6]N[5])(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ni)(C[5]C[5]H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ni)(C[5]C[5]H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	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>}	140.5605	0.251	2	140.5605	0.063	2	136.4589	17.203	10	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]O[5]C)(H)	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]N[5])(C[5]O[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	135.1575	0.008	2	135.1575	0.000	2	136.4589	17.203	10	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H)	C[5](C[5]C[6a]O[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]N[5])(H){1|Ir<6>,1|N<3>,3|C<3>}	133.9775	0.047	2	133.9775	0.002	2	136.4589	17.203	10	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	135.2879	0.541	7	135.2879	0.293	7	135.1310	2.291	39	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>}	135.8039	1.454	8	135.8039	2.114	8	135.1310	2.291	39	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<3>}	133.6625	0.587	6	133.4226	0.546	12	135.1310	2.291	39	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Zn<6>,1|N<3>,2|C<3>}	133.1827	0.848	6	133.4226	0.546	12	135.1310	2.291	39	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Cu<4>,1|C<3>,1|N<3>}	135.4440	0.492	4	135.4440	0.243	4	135.1310	2.291	39	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	136.4583	0.479	4	136.4583	0.229	4	135.1310	2.291	39	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]N[5]Re)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Re)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Re)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Re)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Re<6>,1|C<3>,1|N<3>}	136.9960	0.982	4	136.9960	0.964	4	135.1310	2.291	39	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|Ir<8>,1|N<3>,3|C<3>}	138.7650	0.194	2	138.7650	0.038	2	138.7767	0.225	8	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|Ru<6>,1|N<3>,3|C<3>}	138.9590	0.648	2	138.7807	0.308	6	138.7767	0.225	8	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|Ru<9>,1|N<3>,3|C<3>}	138.6915	0.584	4	138.7807	0.308	6	138.7767	0.225	8	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Co<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Co<6>,1|H<1>,2|N<3>}	129.5820	0.000	1	129.5820	0.000	1	128.9377	0.559	3	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Mn)(C[5]N[5]2)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]2)(C[5]N[5]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Mn<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Mn<6>,1|H<1>,2|N<3>}	128.6155	0.704	2	128.6155	0.495	2	128.9377	0.559	3	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5])	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5]){1|O<1>,7|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5]){1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	126.3580	0.587	2	126.3580	0.344	2	126.3580	0.344	2	130.9679	32.432	111	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	C[5](C[5]C[5]N[5])2(N[5]O[5])	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5]C[5]N[5])2(N[5]O[5]){1|C<3>,1|N<2>,1|O<2>,2|N<3>,2|O<1>}	133.0570	0.000	1	133.0570	0.000	1	133.0570	0.000	1	129.2433	12.366	3	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:S-2:	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]C)(SNi)	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C){1|C<3>,1|N<3>,1|S<1>,1|S<2>,2|C<4>}	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C){1|C<3>,1|N<3>,1|S<1>,1|S<2>,2|C<4>}	C[5](C[5]C[5]N[5])(N[5]C[5]C)(SNi){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	127.3365	1.708	2	127.3365	2.916	2	127.3365	2.916	2	129.2433	12.366	3	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(NC[6a]H){4|C<3>}	128.6680	0.083	2	128.6680	0.007	2	128.6680	0.007	2	130.1713	30.299	12	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]N)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)	C[5](C[5]C[5,6a]N)2(C[5]C[5]2){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]O)2(C[5]C[5]2){2|N<3>,4|C<3>}	126.4960	0.000	1	126.4960	0.000	1	126.4960	0.000	1	130.1713	30.299	12	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,7|C<3>}	129.0765	0.872	2	129.0765	0.760	2	129.0765	0.760	2	130.1713	30.299	12	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5]2)(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C){1|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C){1|H<1>,7|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	123.3600	0.185	2	123.3600	0.034	2	123.3600	0.034	2	130.1713	30.299	12	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C){1|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C){1|H<1>,7|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H){8|C<3>}	129.4265	0.681	2	129.4265	0.464	2	129.4265	0.464	2	130.1713	30.299	12	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(N[5]C[5]Mn)(C[5]N[5]2)	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Mn)2	C[5](C[5]C[5a]N[5])(N[5]C[5]Mn)(C[5]N[5]2){1|Mn<6>,1|N<3>,2|H<1>,3|N<2>}	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]C[5]H){2|Mn<6>,1|H<1>,2|N<2>,2|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Mn)2{1|N<3>,2|C<3>}	134.0050	0.000	1	134.0050	0.000	1	134.0050	0.000	1	130.1713	30.299	12	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]Os)(C[5]N[5]2)	C[5](C[5]C[5]N[5])(N[5]C[5]Os)(C[5]N[5]2)	C[5](N[5]C[5,6a]Os)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Os)(C[5]N[5]2){1|Os<6>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Os)(C[5]N[5]2){1|Os<6>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Os)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|N<3>,4|C<3>}	140.3200	0.000	1	140.3200	0.000	1	140.2460	0.011	2	130.1713	30.299	12	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]Ru)(C[5]N[5]2)	C[5](C[5]C[5]N[5])(N[5]C[5]Ru)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ru)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Ru)(C[5]N[5]2){1|Ru<6>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Ru)(C[5]N[5]2){1|Ru<6>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|N<3>,4|C<3>}	140.1720	0.000	1	140.1720	0.000	1	140.2460	0.011	2	130.1713	30.299	12	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:P[5]-3:	C[5]-3:C[5]-3:P[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[5])(C[5]C[5]C)(P[5]C[5]O)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(P[5]C[5]O)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(P[5]C[5]O){1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5]P[5])(C[5]C[5]C)(P[5]C[5]O){1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|O<2>,1|P<3>,2|C<3>}	128.9315	0.465	4	128.9315	0.216	4	128.9315	0.216	4	129.4617	0.894	6	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3)	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]C){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Co<6>,1|C<3>,1|N<3>,5|C<4>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3){1|Co<6>,1|H<1>,2|N<3>}	130.9970	0.000	1	130.9970	0.000	1	130.5220	0.451	2	129.4617	0.894	6	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]N[5]C){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Ni<6>,1|C<3>,1|N<3>,5|C<4>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3){1|Ni<6>,1|H<1>,2|N<3>}	130.0470	0.000	1	130.0470	0.000	1	130.5220	0.451	2	129.4617	0.894	6	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	122.2720	0.000	1	122.2720	0.000	1	122.2720	0.000	1	125.0860	4.154	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:S[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]O){3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	126.0240	0.976	3	126.0240	0.952	3	126.0240	0.952	3	125.0860	4.154	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:C[5]-3:	N[5,6]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S[5]-2:	C[5](C[5]N[5]S[5])(N[5]C[5,6]Re)(C[5]N[5,6]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5])(CCHH)	C[5](C[5]C[5]N[5])(N[5]C[5]Re)(S[5]C[5])	C[5](C[5]N[5]S[5])(N[5]C[5,6]Re)(C[5]N[5,6]C){4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5])(CCHH){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Re)(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	132.0310	0.000	1	132.0310	0.000	1	132.0310	0.000	1	132.0310	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]N[5]C)2	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3)	C[5](C[5]C[5]2)(C[5]N[5]C)2	C[5](C[5]C[5]2)(C[5]N[5]C)2{2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]2)(C[5]N[5]C)2{2|C<4>,2|H<1>,2|N<3>}	126.7477	0.912	20	126.7477	0.832	20	126.7477	0.832	20	126.7477	0.832	20	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5]-4:	C[5]-3:S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5])	C[5](C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO)	C[5](C[5]C[5,6a]C[5])(S[5]C[5]OO)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5]){1|C<4>,1|H<1>,1|S<2>,4|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO){1|C<4>,1|S<4>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(S[5]C[5]OO)(C[5]C[5]C){1|S<4>,2|H<1>,3|C<3>}	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5,5]-3:P[5]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]P[5])(N[5]N[5]Pd)(C[5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[5]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5,5]P[5])(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[5]C[5]N[5]){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|Pd<4>,1|P<4>,3|C<3>}	138.2440	0.000	1	138.2440	0.000	1	138.2440	0.000	1	138.2440	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O){1|C<4>,1|N<3>,2|C<3>}	122.9645	0.037	2	122.9645	0.001	2	122.9645	0.001	2	122.9645	0.001	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:2:2:	C[5]-3:C[5]-3:C[5]-3:	C[4,5]-4:C[5]-3:O-1:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5]C[4,5]O)2(C[5]S[5]2)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]2)(O)	C[5](C[5]C[5]2)(S[5]C[5])2	C[5](C[5]C[4,5]O)2(C[5]S[5]2){2|H<1>,4|C<4>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	C[5](C[5]C[5]2)(S[5]C[5])2{2|C<4>,2|O<1>,4|H<1>}	125.0065	0.466	2	125.0065	0.217	2	125.0065	0.217	2	125.0065	0.217	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	126.4690	14.460	7	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)2	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(C[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	125.7695	2.436	2	125.7695	5.934	2	125.7695	5.934	2	126.4690	14.460	7	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){2|C<4>,3|C<3>}	130.3310	0.000	1	130.3310	0.000	1	130.3310	0.000	1	126.4690	14.460	7	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|C<4>,2|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	129.0240	0.000	1	129.6040	0.673	2	127.7030	11.178	3	126.4690	14.460	7	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	130.1840	0.000	1	129.6040	0.673	2	127.7030	11.178	3	126.4690	14.460	7	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|H<1>,2|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.9010	0.000	1	123.9010	0.000	1	127.7030	11.178	3	126.4690	14.460	7	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H){1|O<1>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,2|C<4>,2|H<1>}	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H){1|O<1>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	129.4820	0.000	1	129.4820	0.000	1	129.4820	0.000	1	129.4820	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:4:3:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(O){2|C<3>,2|C<4>}	119.3810	0.000	1	119.9355	0.615	2	119.9355	0.615	2	119.9355	0.615	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:4:3:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>}	120.4900	0.000	1	119.9355	0.615	2	119.9355	0.615	2	119.9355	0.615	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:4:3:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]2)(C[5]O[5]C)(CC[6a]2)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]2)(C[5]O[5]C)(CC[6a]2){1|O<1>,2|C<4>}	131.6380	0.000	1	131.6380	0.000	1	131.8720	0.110	2	131.8720	0.110	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:4:3:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]2)(C[5]O[5]O)(CC[5a]C)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]2)(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	132.1060	0.000	1	132.1060	0.000	1	131.8720	0.110	2	131.8720	0.110	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO){3|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	128.6100	0.000	1	128.6100	0.000	1	128.6100	0.000	1	128.6100	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:4:3:	3:3:2:	C[5]-3:C[5]-3:C[5]-4:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2){1|N<2>,3|C<3>,6|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	131.0025	0.124	2	131.0025	0.015	2	131.0025	0.015	2	129.3475	3.657	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:4:3:	3:3:2:	C[5]-3:C[5]-3:C[5]-4:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5](C[5]C[5]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	C[5](C[5]C[5]2)(C[5]N[5]C)(S[5]C[5]){1|Mn<6>,2|C<3>,2|C<4>,2|F<1>}	127.6980	0.000	1	127.6980	0.000	1	127.6925	0.000	2	129.3475	3.657	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:4:3:	3:3:2:	C[5]-3:C[5]-3:C[5]-4:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5](C[5]C[5]2)(C[5]S[5]C)(S[5]C[5])	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|C<4>,2|C<3>,2|S<2>,4|F<1>}	C[5](C[5]C[5]2)(C[5]S[5]C)(S[5]C[5]){2|C<3>,2|C<4>,2|F<1>}	127.6870	0.000	1	127.6870	0.000	1	127.6925	0.000	2	129.3475	3.657	4	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:3:1:	4:3:2:	C[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:O[5]-2:	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O[5]C[5])	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,6|H<1>}	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(N[5]S[5])	C[5](C[5]C[5]2)(N[5]C[5]H)(H)	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]H){1|H<1>,1|S<4>,6|C<3>}	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](C[5]C[5]2)(N[5]C[5]H)(H){1|H<1>,1|N<2>,4|C<3>}	127.6250	0.000	1	127.6250	0.000	1	127.6250	0.000	1	127.6250	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:3:2:	4:3:1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]2)(C[5]C[5]O)(N[5]N[5])	C[5](C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]O)(N[5]N[5]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(H){1|C<3>,1|N<2>,4|H<1>}	126.0920	0.000	1	126.0920	0.000	1	126.0920	0.000	1	126.0920	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5,6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	C[5](C[5]C[5]2)(N[5]C[5])(H)	C[5](C[5]C[5,6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	C[5](C[5]C[5]2)(N[5]C[5])(H){2|C<3>,4|H<1>}	125.9170	0.000	1	125.9170	0.000	1	125.9170	0.000	1	125.9170	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5]-3:S[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5])(S[5]C[5]OO)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5])	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6a]C[5])(S[5]C[5]OO)(C[5]C[5]C){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5]){1|C<4>,1|H<1>,1|S<2>,4|O<1>,5|C<3>}	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,2|O<1>}	131.5410	0.000	1	131.5410	0.000	1	131.5410	0.000	1	131.5410	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){3|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2){2|C<4>,9|C<3>}	125.2710	0.000	1	125.2710	0.000	1	125.2710	0.000	1	125.2710	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:3:4:	3:4:3:	C[5]-3:P[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-4:C[5]-3:	C[5](C[5]C[5]P[5])(P[5]C[5]CS)(C[5]C[5]C)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(P[5]C[5]CS)(C[5]C[5]C)	C[5](C[5]C[5]P[5])(P[5]C[5]CS)(C[5]C[5]C){1|S<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|C<3>}	C[5](C[5]C[5]P[5])(P[5]C[5]CS)(C[5]C[5]C){1|S<1>,3|C<3>,3|C<4>}	128.8660	0.717	6	128.8660	0.515	6	132.3098	20.125	10	132.3098	20.125	10	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:3:4:	3:4:3:	C[5]-3:P[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-4:C[5]-3:	C[5](C[5]C[5]P[5])(P[5]C[5]PdC)(C[5]C[5]C)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(P[5]C[5]PdC)(C[5]C[5]C)	C[5](C[5]C[5]P[5])(P[5]C[5]PdC)(C[5]C[5]C){3|C<3>,3|C<4>}	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,1|P<4>,2|C<3>}	C[5](C[5]C[5]P[5])(P[5]C[5]PdC)(C[5]C[5]C){3|C<3>,3|C<4>}	137.4755	0.466	4	137.4755	0.217	4	132.3098	20.125	10	132.3098	20.125	10	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:4:3:	3:3:1:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,3|C<3>,3|H<1>}	123.2488	0.424	4	123.2488	0.180	4	123.2488	0.180	4	125.0270	5.704	7	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:4:3:	3:3:1:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5]2)(N[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,4|H<1>}	125.7630	0.000	1	125.7630	0.000	1	127.3980	2.085	3	125.0270	5.704	7	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:4:3:	3:3:1:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5]2)(N[5]C[5]H)(O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]H)(O){1|C<3>,1|C<4>,4|H<1>}	128.2155	0.400	2	128.2155	0.160	2	127.3980	2.085	3	125.0270	5.704	7	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:4:3:	4:3:3:	C[5]-3:C[5]-4:C[5]-3:	C[6]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	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)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)	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>}	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[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	127.1910	0.000	1	127.1910	0.000	1	127.1910	0.000	1	127.1910	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	4:2:3:	3:2:1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:O[5]-2:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<4>,1|O<2>,4|H<1>}	123.2465	0.250	2	123.2465	0.062	2	123.2465	0.062	2	123.2465	0.062	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:2:	3:2:1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O[5]-2:	C[5]-3:S[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O[5])(C[5]S[5]O)	C[5](C[5]C[5,6]C[5])(N[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5,6]C[5])(S[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O[5])(C[5]S[5]O){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[5])(N[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5])(S[5]C[5,6])(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:2:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5])(C[5]N[5]H)	C[5](C[5]C[5]2)(C[5]C[5]N)(O[5]N[5])	C[5](C[5]C[5]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5])(C[5]N[5]H){1|N<3>,1|N<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]N)(O[5]N[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]H)(H){1|O<2>,2|H<1>,3|C<3>}	129.1250	0.000	1	129.1250	0.000	1	129.1250	0.000	1	129.1250	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H)	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	125.6470	0.000	1	125.6470	0.000	1	125.6470	0.000	1	125.6470	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2){2|C<4>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){1|H<1>,8|C<3>}	129.7910	0.000	1	129.7910	0.000	1	129.7910	0.000	1	129.7910	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]N[5]HH)(C[5]C[5]2)(H)	C[5](C[5]N[5]HH)(C[5]C[5]2)(C[5]C[5]H){1|O<1>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]2)(H){1|S<4>,2|C<3>,2|H<1>}	129.8750	0.000	1	129.8750	0.000	1	129.8750	0.000	1	129.8750	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:4:2:	3:4:1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:O[5]-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5])(C[5]C[5]O)	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5])(C[5]C[5]O){1|O<2>,3|C<4>,7|H<1>}	C[5](C[5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(O){2|C<4>,2|H<1>,2|O<2>}	124.1425	1.696	2	124.1425	2.878	2	124.1425	2.878	2	124.1425	2.878	2	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:4:3:	4:3:3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]C){1|C<3>,2|C<4>,6|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>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCC){1|C<3>,1|C<4>,4|H<1>}	125.9000	0.000	1	125.9000	0.000	1	125.9000	0.000	1	125.9000	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,2|H<1>,4|C<3>}	124.0648	0.507	11	124.0648	0.257	11	124.0648	0.257	11	124.0648	0.257	11	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	3:3:4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	127.3982	1.475	6	127.3982	2.175	6	127.3982	2.175	6	127.3982	2.175	6	128.2106	19.688	469	129.2375	27.528	546
818	818	818	0:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:4:3:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,2|O<2>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HO)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){2|C<4>,2|H<1>,3|C<3>}	123.2470	0.000	1	123.2470	0.000	1	123.2470	0.000	1	123.2470	0.000	1	128.2106	19.688	469	129.2375	27.528	546
818	818	818	5:SP2_SP2_SP2	C[5,5,6]	C[5,5,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	C[5,5,6]-4:C[5,5,6]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-3:N[5]-3:	C[5,5,6]-3:N[5]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(C[5]N[5]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]C[5])(N[5]N[5]Zn)	C[5](C[5,5,6]C[5,5,6]2)(N[5]N[5]C)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(C[5]N[5]H){1|Zn<4>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]C[5])(N[5]N[5]Zn){4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2)(N[5]N[5]C)(H){1|Zn<4>,1|H<1>,3|C<4>}	105.2600	0.121	4	105.2600	0.015	4	105.2600	0.015	4	105.2600	0.015	4	105.2600	0.015	4	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:2:	3:3:2:	3:2:3:	C[5,5]-3:C[5,5]-3:S[5]-2:	C[5,5]-3:C[5,5]-3:S[5]-2:	C[5,5]-3:Se[5]-2:N[5]-3:	C[5,5](C[5,5]C[5,5]S[5])(C[5,5]Se[5]N[5])(S[5]C[5])	C[5,5](C[5,5]C[5,5]S[5])(C[5,5]Se[5]N[5])(S[5]C[5])	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C)	C[5,5](C[5,5]C[5,5]S[5])(C[5,5]Se[5]N[5])(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C[5,5](C[5,5]C[5,5]S[5])(C[5,5]Se[5]N[5])(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C){1|N<3>,1|S<1>,1|S<2>}	113.1730	0.233	2	113.1730	0.054	2	113.1730	0.054	2	113.1730	0.054	2	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:3:	3:2:2:	3:3:3:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5])	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2){1|Se<2>,1|H<1>,4|C<3>}	113.4310	0.693	2	113.4310	0.480	2	113.4310	0.480	2	113.4310	0.480	2	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:3:	3:3:3:	3:2:2:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5])	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	114.1220	0.784	4	114.1220	0.614	4	114.1220	0.614	4	113.6528	0.947	6	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:3:	3:3:3:	3:2:2:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(Se[5]C[5,6a])(Se[5]C[5,5])	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2){1|Se<2>,1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Se[5]C[5,6a])(Se[5]C[5,5]){1|Se<2>,3|C<3>}	112.7145	0.501	2	112.7145	0.251	2	112.7145	0.251	2	113.6528	0.947	6	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5]-3:S[5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5]C[5,6a]Si)(S[5]C[5,5]OO)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]){1|Si<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]){1|Si<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5]C[5,6a]Si)(S[5]C[5,5]OO){4|C<3>}	113.5690	0.035	2	113.5690	0.001	2	113.5690	0.001	2	113.5690	0.001	2	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:3:	3:3:3:	3:4:2:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-4:N[5]-2:	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5])	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:P[5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(P[5]C[5,5]C[6a]O)(C[5]C[5,6a]Si)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5]){1|Si<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5]){1|Si<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(P[5]C[5,5]C[6a]O)(C[5]C[5,6a]Si){6|C<3>}	114.2210	0.331	2	114.2210	0.110	2	114.2210	0.110	2	114.9140	0.677	4	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5]){1|H<1>,3|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5]){1|H<1>,3|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){4|C<3>}	115.6070	0.042	2	115.6070	0.002	2	115.6070	0.002	2	114.9140	0.677	4	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){1|Si<4>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	118.0530	0.180	2	118.3872	0.785	4	118.3872	0.785	4	118.3872	0.785	4	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){2|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	118.7215	1.370	2	118.3872	0.785	4	118.3872	0.785	4	118.3872	0.785	4	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){1|Si<4>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	114.2395	0.558	2	114.2395	0.311	2	114.1838	0.148	4	114.1838	0.148	4	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){2|C<4>,5|C<3>}	114.1280	0.348	2	114.1280	0.121	2	114.1838	0.148	4	114.1838	0.148	4	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:4:	3:3:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	116.9800	0.000	1	116.7975	0.067	2	116.4848	0.195	4	116.4848	0.195	4	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:4:	3:3:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	116.6150	0.000	1	116.7975	0.067	2	116.4848	0.195	4	116.4848	0.195	4	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:4:	3:3:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){1|Si<4>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	115.9200	0.000	1	116.1720	0.127	2	116.4848	0.195	4	116.4848	0.195	4	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:4:	3:3:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){1|Si<4>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	116.4240	0.000	1	116.1720	0.127	2	116.4848	0.195	4	116.4848	0.195	4	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,5]	3:3:4:	4:3:4:	3:3:4:	C[5,5]-3:C[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH){2|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5,5]C[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5])2(C[5]C[5]HH){2|C<4>,2|O<2>,6|H<1>}	108.9855	0.226	2	108.9855	0.051	2	108.9855	0.051	2	108.9855	0.051	2	114.3271	6.722	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[5,5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5,6]-3:C[6]-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)	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a])	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[5,5](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>}	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a]){10|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>}	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]Si)(H)	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5]){2|Si<4>,1|H<1>}	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5]){2|Si<4>,1|H<1>}	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]Si)(H){2|C<3>}	117.4780	0.000	1	117.4780	0.000	1	117.4780	0.000	1	117.4780	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:2:	3:3:2:	3:4:4:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]Se[5]C[5])(C[5]P[5]C)(Se[5]P[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]P[5]C)(Se[5]P[5])	C[5](C[5,5]C[5,5]Se[5])(P[5]C[6a]Se[5]Se)(CC3)	C[5,5](C[5,5]Se[5]C[5])(C[5]P[5]C)(Se[5]P[5]){2|Se<1>,1|C<4>,2|C<3>}	C[5,5](C[5,5]Se[5]C[5])(C[5]P[5]C)(Se[5]P[5]){2|Se<1>,1|C<4>,2|C<3>}	C[5](C[5,5]C[5,5]Se[5])(P[5]C[6a]Se[5]Se)(CC3){1|P<4>,3|C<3>}	124.4245	0.046	2	124.4245	0.002	2	124.4245	0.002	2	124.4245	0.002	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5]-3:C[5,5]-3:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5])	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5]){2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<3>}	116.9660	1.438	2	116.9660	2.069	2	116.9660	2.069	2	116.9660	2.069	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:2:2:	3:3:1:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5])	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H){1|Se<2>,2|C<3>}	112.8405	1.111	4	112.8405	1.234	4	112.8045	0.762	6	112.8045	0.762	6	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:2:2:	3:3:1:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5])	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H){1|Se<2>,2|C<3>}	112.7325	0.306	2	112.7325	0.094	2	112.8045	0.762	6	112.8045	0.762	6	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-3:N[5]-2:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5]C[5a]C[5])(C[5,5]C[5]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5,5](C[5]C[5a]C[5])(C[5,5]C[5]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-3:N[5]-2:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5]C[5a]C[5])(C[5,5]C[5]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5,5](C[5]C[5a]C[5])(C[5,5]C[5]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|N<2>,2|C<3>}	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	106.2757	3.264	3	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5,5]-3:O[5]-2:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5]){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<2>,3|C<3>}	105.2355	0.192	2	105.2355	0.037	2	105.2355	0.037	2	106.2757	3.264	3	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,6]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:N[5,6]-3:O-1:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O)	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O)	C[5](C[5,5]C[5,5]C[5])(N[5,6]C[5,6]C[6])(O)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O){1|C<4>,1|O<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(N[5,6]C[5,6]C[6])(O){1|H<1>,1|N<3>,4|C<3>}	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.4570	0.265	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:N[5]-3:O-1:	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O)	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O)	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	109.4570	0.265	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:C[5,5a]-3:C[5,5]-3:	C[5,5]-3:C[5,5a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a]){1|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]){1|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2){2|H<1>,8|C<3>}	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:Si-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	113.4710	0.126	2	113.4710	0.016	2	113.4710	0.016	2	113.4710	0.016	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	109.2020	0.546	5	108.1918	1.610	9	108.4330	2.013	10	108.4330	2.013	10	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	107.2070	0.000	1	108.1918	1.610	9	108.4330	2.013	10	108.4330	2.013	10	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	106.8363	0.232	3	108.1918	1.610	9	108.4330	2.013	10	108.4330	2.013	10	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|C<4>,3|C<3>}	110.6040	0.000	1	110.6040	0.000	1	108.4330	2.013	10	108.4330	2.013	10	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH){1|C<3>,1|C<4>,2|O<1>}	111.8960	0.000	1	111.8960	0.000	1	112.3537	7.077	7	111.9260	6.108	9	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH){1|C<3>,1|C<4>,2|O<1>}	113.5537	0.320	3	113.8520	0.424	4	112.3537	7.077	7	111.9260	6.108	9	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH){1|C<3>,1|C<4>,2|O<1>}	114.7470	0.000	1	113.8520	0.424	4	112.3537	7.077	7	111.9260	6.108	9	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCC){1|C<3>,1|C<4>,2|O<1>}	112.4740	0.000	1	112.4740	0.000	1	112.3537	7.077	7	111.9260	6.108	9	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|O<1>,5|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC){1|C<3>,3|C<4>}	106.6980	0.000	1	106.6980	0.000	1	112.3537	7.077	7	111.9260	6.108	9	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	110.4290	0.798	2	110.4290	0.636	2	110.4290	0.636	2	111.9260	6.108	9	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:4:	3:2:4:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:O[5]-2:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,5]C[5,6a]C[5,5])(O[5]C[5])(CCCO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){1|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(O[5]C[5])(CCCO){2|C<4>,3|C<3>}	107.5690	0.000	1	107.5690	0.000	1	107.5690	0.000	1	107.5690	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){2|H<1>,7|C<3>}	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	110.2375	0.128	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[6a]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(N[5]C[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2){1|S<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH){1|S<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(N[5]C[5]S){4|H<1>,5|C<3>}	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	110.2375	0.128	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5,5]-3:N[5]-3:C[5]-3:	C[5,5]-3:N[5]-3:C[5]-4:	C[5,5]-3:P[5]-3:C-4:	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C)	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC)	C[5](C[5,5]C[5,5]N[5])(P[5]N[5]O)(CC3)	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]N[5])(P[5]N[5]O)(CC3){1|C<4>,3|C<3>}	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	112.7380	2.630	3	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2){4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	111.8050	0.191	2	111.8050	0.036	2	111.8050	0.036	2	112.7380	2.630	3	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H){3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H){2|H<1>,5|C<3>}	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:4:2:	3:3:1:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5])	C[5](C[5,5]C[5,5]2)(C[5]C[6a]N[5])(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,5]C[5,5]2)(C[5]C[6a]N[5])(H){1|C<4>,4|C<3>}	104.3440	0.033	2	104.3440	0.001	2	104.3440	0.001	2	104.3440	0.001	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|B<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<3>,1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H){1|H<1>,1|N<3>,2|C<4>}	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:4:3:	3:3:2:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:O-2:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC){1|H<1>,2|C<3>,3|C<4>}	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:N-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|B<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<3>,1|N<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|H<1>,2|C<3>,2|C<4>}	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	3:4:3:	3:4:4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|O<2>,4|C<3>}	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|H<1>,3|C<4>}	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	4:3:3:	4:3:4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	4:4:3:	3:2:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[5,5]-3:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5,5])(O)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O){1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5,5])(O){1|C<3>,1|N<2>,3|C<4>}	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:3:	4:4:3:	3:3:2:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[5,5]-3:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O){1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]O)(C[5,5]C[5]2){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	107.7770	0.000	1	107.7770	0.000	1	107.7770	0.000	1	107.7770	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2){4|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	111.1825	0.077	2	111.1825	0.006	2	111.1825	0.006	2	111.1825	0.006	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,5]-3:C[5]-3:S[5]-4:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:Si-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5]C[5,6a]Si)(S[5]C[5,5]OO)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(SiC3)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5]C[5,6a]Si)(S[5]C[5,5]OO){4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]){1|Si<4>,1|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(SiC3){1|H<1>,2|O<1>,4|C<3>}	113.4095	0.077	2	113.4095	0.006	2	113.4095	0.006	2	113.4095	0.006	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:4:	3:3:4:	3:3:2:	C[5]-3:C[5,5]-3:C[5]-4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5a]-3:Se[5]-2:	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5])	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	115.6912	0.237	4	115.6912	0.056	4	115.6912	0.056	4	115.9230	0.188	6	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:4:	3:3:4:	3:3:2:	C[5]-3:C[5,5]-3:C[5]-4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[6a]-3:Se[5]-2:	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|C<4>,3|C<3>,4|H<1>}	116.3865	0.357	2	116.3865	0.128	2	116.3865	0.128	2	115.9230	0.188	6	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:P[5]-4:C[6a]-3:	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	117.0410	0.000	1	117.0410	0.000	1	117.0410	0.000	1	117.0410	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:4:	4:3:3:	3:3:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H){1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|H<1>,5|C<3>}	113.0355	0.049	2	113.0355	0.002	2	113.0355	0.002	2	113.0355	0.002	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5,5]-3:C[5]-3:C[5]-4:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[3,5,5]-4:C[5,5]-3:O-1:	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]O)(C[5]C[5]HH)	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(O)	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]O)(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(O){2|Br<1>,4|C<4>,4|H<1>}	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:3:4:	4:3:4:	4:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[3,5,5]-4:C[5,5]-3:C-3:	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]C)(C[5]C[5]HH)	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(CHH)	C[5,5](C[5,5]C[3,5,5]C[5])(C[5]C[3,5,5]C)(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|C<3>,2|C<4>,6|H<1>}	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(CHH){2|Br<1>,4|C<4>,4|H<1>}	112.4390	0.000	1	112.4390	0.000	1	112.4390	0.000	1	112.4390	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:2:	3:3:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(Se[5]C[5])	C[5](C[5,5]C[5,5]C[5])(C[5]Se[5]Br)(H)	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H){1|Br<1>,6|C<3>}	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](C[5,5]C[5,5]C[5])(C[5]Se[5]Br)(H){4|C<3>}	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|B<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H){1|C<3>,1|H<1>,3|C<4>}	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	107.6745	3.113	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:N[5]-3:H-1:	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C)	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C){1|N<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]H)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	106.4270	0.000	1	106.4270	0.000	1	106.4270	0.000	1	107.6745	3.113	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a])	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](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a]){10|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>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5,5]-3:P[5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:Si-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(P[5]C[5,5]C[6a]O)(C[5]C[5,6a]Si)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(SiC3)	C[5,5](C[5,5]C[5,6a]C[5,5])(P[5]C[5,5]C[6a]O)(C[5]C[5,6a]Si){6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5]){1|Si<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(SiC3){1|H<1>,1|O<1>,5|C<3>}	111.2040	0.140	2	111.2040	0.020	2	111.2040	0.020	2	109.4196	1.270	8	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5]){1|H<1>,3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	109.0115	0.008	2	109.0115	0.000	2	109.0115	0.000	2	109.4196	1.270	8	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3){1|H<1>,2|C<4>,4|C<3>}	108.2800	0.000	1	108.2800	0.000	1	108.7315	0.091	4	109.4196	1.270	8	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	108.8820	0.029	3	108.8820	0.001	3	108.7315	0.091	4	109.4196	1.270	8	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:4:	3:2:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(O){2|C<3>,4|H<1>}	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	111.9805	7.065	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:3:4:	3:2:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:Si[5]-2:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]Si[5]H)	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(Si[5]C[5])(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]Si[5]H){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(Si[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	111.9805	7.065	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:3:	3:3:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	111.9070	0.000	2	111.9070	0.000	2	111.9070	0.000	2	111.9070	0.000	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:3:	3:3:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:N[5]-3:	C[5,5]-3:N[5]-3:C-4:	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]B)	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]Co)(CH3)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|Co<6>,1|B<4>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]B){1|Co<6>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]Co)(CH3){1|B<4>,2|C<4>,2|H<1>}	105.7353	0.231	3	105.7353	0.053	3	105.7353	0.053	3	105.7353	0.053	3	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:3:	3:4:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(H){2|C<3>,4|H<1>}	110.8860	0.000	2	110.8860	0.000	2	110.8860	0.000	2	110.8860	0.000	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:3:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	116.0561	0.595	8	116.0561	0.354	8	116.1492	0.593	23	116.1492	0.593	23	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:3:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<4>,1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<4>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	116.6434	0.325	7	116.6421	0.094	9	116.1492	0.593	23	116.1492	0.593	23	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:3:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<5>,1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<5>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	116.6375	0.343	2	116.6421	0.094	9	116.1492	0.593	23	116.1492	0.593	23	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:3:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<5>,1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<5>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5]CC){2|C<3>,2|H<1>,3|C<4>}	115.8120	0.000	1	115.8120	0.000	1	116.1492	0.593	23	116.1492	0.593	23	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:3:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<5>,1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<5>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	113.9750	0.000	1	114.7250	0.467	3	116.1492	0.593	23	116.1492	0.593	23	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:3:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<6>,1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<6>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	115.1000	0.300	2	114.7250	0.467	3	116.1492	0.593	23	116.1492	0.593	23	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	3:4:3:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	116.6080	0.119	2	116.6080	0.014	2	116.1492	0.593	23	116.1492	0.593	23	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	3:4:3:	4:3:3:	3:2:1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,6]-4:C[5,5]-3:N[5]-3:	C[5,5]-3:O[5]-2:O-1:	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5,6])(O)	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O){1|S<4>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S){1|O<1>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5,6])(O){1|N<3>,2|H<1>,3|C<4>}	108.7897	0.090	3	108.7897	0.008	3	108.7897	0.008	3	108.7897	0.008	3	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H)	C[5](C[5,5]C[5,5]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:3:	3:4:3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](P[5]C[5,6a]C[6a]Se)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,5]P[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](P[5]C[5,6a]C[6a]Se)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5]){1|Se<1>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|Se<1>,2|H<1>,8|C<3>}	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	3:3:4:	3:4:1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]C[5]H){1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){2|H<1>,4|C<3>}	111.1810	0.134	2	111.1810	0.018	2	111.1810	0.018	2	111.1810	0.018	2	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	P[5]-4:C[5,5]-3:C[5]-3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|C<4>,1|H<1>,1|W<6>,6|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|C<4>,1|H<1>,1|W<6>,6|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	107.5380	0.057	2	107.6044	0.124	12	107.8117	0.233	18	107.8117	0.233	18	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	P[5]-4:C[5,5]-3:C[5]-3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|C<4>,1|H<1>,6|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	107.8890	0.300	2	107.6044	0.124	12	107.8117	0.233	18	107.8117	0.233	18	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	P[5]-4:C[5,5]-3:C[5]-3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|Cr<6>,1|C<4>,1|H<1>,6|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|Cr<6>,1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	107.7585	0.088	2	107.6044	0.124	12	107.8117	0.233	18	107.8117	0.233	18	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	P[5]-4:C[5,5]-3:C[5]-3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|Fe<5>,1|C<4>,1|H<1>,6|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|Fe<5>,1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	107.6135	0.653	2	107.6044	0.124	12	107.8117	0.233	18	107.8117	0.233	18	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	P[5]-4:C[5,5]-3:C[5]-3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|Mo<6>,1|C<4>,1|H<1>,6|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|Mo<6>,1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	107.7485	0.125	2	107.6044	0.124	12	107.8117	0.233	18	107.8117	0.233	18	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	P[5]-4:C[5,5]-3:C[5]-3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){2|Co<4>,1|C<4>,1|H<1>,6|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){2|Co<4>,1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|P<4>}	107.0790	0.098	2	107.6044	0.124	12	107.8117	0.233	18	107.8117	0.233	18	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	P[5]-4:C[5,5]-3:C[5]-3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|H<1>,1|P<3>,6|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|H<1>,1|P<3>,6|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	107.9320	0.535	2	108.2262	0.209	6	107.8117	0.233	18	107.8117	0.233	18	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	4:3:3:	3:3:1:	P[5]-4:C[5,5]-3:C[5]-3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|H<1>,1|P<4>,6|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|H<1>,1|P<4>,6|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	108.3732	0.408	4	108.2262	0.209	6	107.8117	0.233	18	107.8117	0.233	18	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,5]	C[5]	4:3:3:	4:3:3:	4:3:3:	N[5,6]-4:C[5,5]-3:C[5]-3:	N[5,6]-4:C[5,5]-3:C[5]-3:	B[5,5a]-4:C[5,5]-3:N[6]-3:	C[5,5](N[5,6]B[5,5a]C[6]2)(C[5,5]N[5,6]C[5])(C[5]B[5,5a]N[6])	C[5,5](N[5,6]B[5,5a]C[6]2)(C[5,5]N[5,6]C[5])(C[5]B[5,5a]N[6])	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2)	C[5,5](N[5,6]B[5,5a]C[6]2)(C[5,5]N[5,6]C[5])(C[5]B[5,5a]N[6]){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5,5](N[5,6]B[5,5a]C[6]2)(C[5,5]N[5,6]C[5])(C[5]B[5,5a]N[6]){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2){1|B<4>,3|C<3>,4|H<1>,6|C<4>}	115.4920	0.000	1	115.4920	0.000	1	115.4920	0.000	1	115.4920	0.000	1	111.4809	15.238	141	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,6]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,5]-3:C[5]-3:	C[6,6a]-3:C[5,5]-3:N[5,6]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(N[5,6]C[5]C[6])	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O)	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(N[5,6]C[5]C[6]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O){1|C<4>,1|O<1>,4|C<3>}	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	109.2030	0.607	2	109.2030	0.607	2	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5,6]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,5]-3:N[5]-3:	C[5,6,6a]-3:C[5,5]-3:C[6]-3:	C[5,6a]-3:C[5,5]-3:N[5]-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])	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[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5])	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>}	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[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	109.7540	0.000	1	109.7540	0.000	1	109.7540	0.000	1	109.2030	0.607	2	109.2030	0.607	2	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:2:	3:3:2:	3:3:2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5](C[5,5]Se[5]C[5])(C[5]Se[5]C[5])(Se[5]Se[5])	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]C[5])(Se[5]Se[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]Se[5]C[5])(Se[5]Se[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<2>,2|C<3>}	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	C[5,5](C[5,5]Se[5]C[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<2>,2|C<3>}	124.2410	0.000	1	124.2410	0.000	1	124.2410	0.000	1	124.6040	0.178	3	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:2:	3:3:2:	3:3:2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5]-3:C[5a]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5a]Se[5])(Se[5]Se[5])	C[5](C[5,5]C[5,5]Se[5])(C[5a]C[5a]S[5a])(Se[5]Se[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5a]Se[5])(Se[5]Se[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5a]Se[5])(Se[5]Se[5]){1|S<2>,2|C<3>}	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[5,5](C[5,5]Se[5]C[5])(C[5]C[5a]Se[5])(Se[5]Se[5]){1|S<2>,2|C<3>}	124.5050	0.000	1	124.5050	0.000	1	124.5050	0.000	1	124.6040	0.178	3	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:2:	3:3:2:	3:3:2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5](C[5,5]Se[5]C[5])(C[5]C[6a]Se[5])(Se[5]Se[5])	C[5](C[5,5]C[5,5]Se[5])(C[6a]C[6a]2)(Se[5]Se[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]C[6a]Se[5])(Se[5]Se[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]C[6a]Se[5])(Se[5]Se[5]){3|C<3>}	C[5](C[5,5]C[5,5]Se[5])(C[6a]C[6a]2)(Se[5]Se[5]){1|Se<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]Se[5]C[5])(C[5]C[6a]Se[5])(Se[5]Se[5]){3|C<3>}	125.0660	0.000	1	125.0660	0.000	1	125.0660	0.000	1	124.6040	0.178	3	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:2:	3:3:3:	3:3:2:	C[5,5]-3:C[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-2:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(S[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(S[5]C[5]){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]){2|H<1>,3|C<3>}	111.1710	0.000	2	111.1710	0.000	2	111.1710	0.000	2	111.1710	0.000	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:2:	3:3:4:	3:3:3:	C[5]-3:C[5,5]-3:N[5]-2:	C[5,5]-3:C[5a]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5]C[5a]C[5])(C[5,5]C[5]2)(N[5]C[5])	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5]C[5a]C[5])(C[5,5]C[5]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:2:	3:4:3:	3:4:2:	C[5,5]-3:C[5]-3:S[5]-2:	C[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]C[5])(S[5]C[5])	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(C[5]S[5]2)	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]HH)(S[5]C[5])	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]C[5])(S[5]C[5]){1|C<3>,2|H<1>,4|S<2>}	C[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]S[5]2)(C[5]S[5]2){1|S<2>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]S[5])(C[5]C[5,5]HH)(S[5]C[5]){2|C<3>,2|S<2>}	112.0450	0.000	1	112.0450	0.000	1	112.0450	0.000	1	112.0450	0.000	1	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H){1|N<3>,4|H<1>}	107.4505	0.204	2	107.4505	0.042	2	107.4505	0.042	2	107.4505	0.042	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5]-3:C[6a]-3:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){5|C<3>}	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]Se[5]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2){1|Se<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5]){4|C<3>}	113.8340	0.000	1	113.8340	0.000	1	113.8340	0.000	1	113.6165	0.095	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]Se[5]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5])	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5]){1|Se<2>,1|H<1>,1|N<3>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5]){4|C<3>}	113.3990	0.000	1	113.3990	0.000	1	113.3990	0.000	1	113.6165	0.095	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:3:3:	3:3:2:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-3:O[5]-2:	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5])	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5]){2|H<1>,2|O<1>,3|C<3>}	110.2630	0.557	2	110.2630	0.310	2	110.2630	0.310	2	110.2630	0.310	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	110.2265	2.002	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	110.2265	2.002	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:4:1:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|O<1>,5|C<4>}	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H){1|C<3>,1|C<4>,2|O<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	113.9740	0.000	1	113.9740	0.000	1	110.7015	21.419	2	110.7015	21.419	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|C<3>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC){1|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|C<3>,5|C<4>}	107.4290	0.000	1	107.4290	0.000	1	110.7015	21.419	2	110.7015	21.419	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:N-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H){1|N<3>,4|H<1>}	109.6105	0.462	2	109.6105	0.213	2	109.6105	0.213	2	109.6105	0.213	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[6a]-3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](P[5]C[5,6a]C[6a]Se)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5]){1|Se<1>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|P<4>,2|H<1>,7|C<3>}	C[5,5](P[5]C[5,6a]C[6a]Se)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,8|C<3>}	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:4:4:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH){1|C<3>,1|C<4>,2|O<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	113.0760	0.000	1	113.0760	0.000	1	112.6612	0.557	6	112.6612	0.557	6	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:4:4:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<3>,1|C<4>,2|O<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	113.3130	0.165	2	113.3130	0.027	2	112.6612	0.557	6	112.6612	0.557	6	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:4:4:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|O<1>,5|C<4>}	112.7860	0.000	1	112.7860	0.000	1	112.6612	0.557	6	112.6612	0.557	6	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:4:4:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,5|C<4>}	111.6350	0.000	1	111.6350	0.000	1	112.6612	0.557	6	112.6612	0.557	6	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:3:	3:4:4:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|C<3>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|C<3>,5|C<4>}	111.8440	0.000	1	111.8440	0.000	1	112.6612	0.557	6	112.6612	0.557	6	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:1:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H){3|C<3>,5|H<1>}	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:2:	3:4:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5a]-3:C[5,5]-3:Si[5]-2:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5])	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]Si[5]H)	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]Si[5]H){1|C<3>,2|C<4>,2|H<1>}	113.2600	0.000	1	113.2600	0.000	1	113.2600	0.000	1	113.2600	0.000	1	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|I<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C){1|H<1>,2|C<4>,3|C<3>}	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	111.8510	0.392	5	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH){1|S<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2){1|S<4>,3|H<1>,5|C<3>}	112.1390	0.000	1	112.1390	0.000	1	111.7590	0.289	2	111.8510	0.392	5	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2){1|H<1>,2|C<4>,5|C<3>}	111.3790	0.000	1	111.3790	0.000	1	111.7590	0.289	2	111.8510	0.392	5	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5,5]-3:S[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5])	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	112.3690	0.007	2	112.3690	0.000	2	112.3690	0.000	2	111.8510	0.392	5	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,5]-3:C[5]-3:Si[5]-4:	C[5,5]-3:N[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:Si[5]-4:	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC)	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2)	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC)	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC){2|C<4>,5|C<3>}	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<4>,5|C<3>}	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC){2|C<4>,5|C<3>}	114.3534	0.346	7	114.3534	0.120	7	114.3534	0.120	7	114.3534	0.120	7	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:3:	3:4:3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,5|C<3>,6|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5a]-3:P[5]-4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]N[5a])(P[5]C[6a]C[5]O)	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]N[5a])(P[5]C[6a]C[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,1|O<1>,3|C<3>,4|H<1>}	115.6380	0.174	2	115.6380	0.030	2	115.6380	0.030	2	115.6380	0.030	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:3:	3:3:4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:P[5]-4:C[5]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[5]C[5]N[5])	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[5]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[5]C[5]N[5]){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,4|C<3>,4|H<1>}	114.1250	0.000	1	114.1250	0.000	1	114.1250	0.000	1	115.3100	2.808	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	3:4:3:	3:3:4:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:P[5]-4:C[6a]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]N)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]N)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	116.4950	0.000	1	116.4950	0.000	1	116.4950	0.000	1	115.3100	2.808	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:3:4:	4:3:1:	3:2:3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-3:H-1:	C[5,5]-3:N[5]-2:N[5]-3:	C[5,5](C[5,5]N[5]2)(C[5]C[5,5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6]N[5]O[5])(C[5,5]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5]2)(N[5]C[5,5])(N[5]C[5]S)	C[5,5](C[5,5]N[5]2)(C[5]C[5,5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,6]N[5]O[5])(C[5,5]C[5,5]C[5])(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2)(N[5]C[5,5])(N[5]C[5]S){1|C<4>,1|O<2>,5|H<1>}	105.2640	0.000	1	105.2640	0.000	1	105.2640	0.000	1	105.2640	0.000	1	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	109.3650	0.000	1	109.3650	0.000	1	109.1067	0.176	3	109.1067	0.176	3	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H){1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|C<4>,5|H<1>}	108.9775	0.503	2	108.9775	0.253	2	109.1067	0.176	3	109.1067	0.176	3	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<4>,1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N){2|C<4>,4|H<1>}	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-3:C-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5]H){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){2|C<3>,4|H<1>}	115.8735	0.825	2	115.8735	0.681	2	115.0472	1.224	4	115.0472	1.224	4	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-3:C-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(COO)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(COO){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){2|C<3>,4|H<1>}	114.2210	0.511	2	114.2210	0.261	2	115.0472	1.224	4	115.0472	1.224	4	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:	3:3:4:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-3:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5a]CC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,4|H<1>}	115.0310	0.030	2	115.0310	0.001	2	115.0310	0.001	2	115.0310	0.001	2	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:N-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]BH)(C[5]C[5]N){2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<4>,1|N<3>,4|H<1>}	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	113.3493	14.661	3	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	3:4:3:	3:4:3:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:P[5]-4:C-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,2|C<3>,4|H<1>}	115.5500	0.513	2	115.5500	0.264	2	115.5500	0.264	2	113.3493	14.661	3	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	4:3:3:	3:3:4:	4:3:3:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5](C[5]C[5]SnC)(C[5,5]C[5]2)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3)	C[5,5](C[5]C[5]SnC)(C[5,5]C[5]2)(C[5]C[5]C)	C[5,5](C[5]C[5]SnC)(C[5,5]C[5]2)(C[5]C[5]C){1|Sn<4>,4|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3){2|Sn<4>,2|C<3>,2|C<4>}	C[5,5](C[5]C[5]SnC)(C[5,5]C[5]2)(C[5]C[5]C){1|Sn<4>,4|C<4>}	109.6460	0.310	3	109.6460	0.096	3	109.6460	0.096	3	109.6460	0.096	3	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5,5]	4:3:3:	3:4:1:	4:3:3:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-4:Br-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br)	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br)	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br){4|Br<1>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]BrH)(Br){2|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5]C[5]BrH)(C[5,5]C[5]2)(C[5]C[5]Br){4|Br<1>,3|H<1>}	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	112.4926	14.037	65	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	137.4030	0.000	1	137.4030	0.000	1	137.4030	0.000	1	137.4030	0.000	1	137.7910	11.383	4	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:3:	3:4:4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|C<3>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC){1|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,3|C<3>}	140.7240	0.000	1	140.7240	0.000	1	140.7240	0.000	1	140.7240	0.000	1	137.7910	11.383	4	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	139.8470	0.000	1	139.8470	0.000	1	139.8470	0.000	1	139.8470	0.000	1	137.7910	11.383	4	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,5]	C[5]	C[5]	5:3:3:	3:3:3:	3:3:3:	Si[5,5]-5:C[5]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](Si[5,5]C[6a]2O[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[5,5](Si[5,5]C[6a]2O[5]2)(C[5]C[6a]C[5])2{10|C<3>}	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	133.1900	0.000	1	133.1900	0.000	1	133.1900	0.000	1	133.1900	0.000	1	137.7910	11.383	4	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,1|Mg<8>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<8>,3|C<4>,5|C<3>}	108.1115	0.265	2	107.7122	0.059	13	107.5883	0.099	17	107.5883	0.099	17	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{4|C<3>,4|C<4>}	107.6027	0.030	3	107.7122	0.059	13	107.5883	0.099	17	107.5883	0.099	17	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,1|C<3>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{4|C<3>,4|C<4>}	107.7080	0.062	2	107.7122	0.059	13	107.5883	0.099	17	107.5883	0.099	17	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{4|C<3>,4|C<4>}	107.7585	0.122	4	107.7122	0.059	13	107.5883	0.099	17	107.5883	0.099	17	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{4|C<3>,4|C<4>}	107.3890	0.098	2	107.7122	0.059	13	107.5883	0.099	17	107.5883	0.099	17	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2{5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	107.1855	0.115	4	107.1855	0.013	4	107.5883	0.099	17	107.5883	0.099	17	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	4:4:3:	C[5,6,6]-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]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,1|Mg<8>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)2(C[5,6,6]C[5,6,6]2){3|C<3>,5|C<4>}	108.2585	0.120	2	108.2585	0.014	2	108.2585	0.014	2	108.2585	0.014	2	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:4:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,2|Mg<7>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)2(C[5,6,6]C[5,6,6]2){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)2(C[5,6,6]C[5,6,6]2){3|C<4>,5|C<3>}	107.8200	0.115	2	107.8200	0.013	2	107.8200	0.013	2	107.8200	0.013	2	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:4:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,5|H<1>}	107.8620	0.643	2	107.8620	0.414	2	107.8620	0.414	2	107.8620	0.414	2	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:3:4:	3:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){6|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){6|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C){4|C<4>,5|H<1>}	107.9880	0.355	2	107.9880	0.126	2	107.9880	0.126	2	107.9880	0.126	2	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:4:	3:4:4:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	3:4:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|O<2>,2|N<3>,4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,1|O<2>,4|C<4>,7|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,4|C<4>,6|C<3>}	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	4:3:3:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[3x6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-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)	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[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)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){3|C<4>,7|C<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){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	111.2415	0.243	2	111.2415	0.059	2	111.2415	0.059	2	111.3227	0.049	3	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	4:3:3:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-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)	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[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)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){2|C<4>,8|C<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){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	111.4850	0.000	1	111.4850	0.000	1	111.4850	0.000	1	111.3227	0.049	3	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	4:4:3:	3:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[3,5,6,6]-4:C[5,6,6]-4: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[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,1|O<2>,4|C<4>,7|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){1|N<3>,2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|O<2>,2|N<3>,4|C<4>,6|C<3>}	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	109.6327	0.032	3	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:4:3:	4:4:3:	3:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,3x6]-4:C[5,6,6]-4: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[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,2|C<4>}	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,1|H<1>,2|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,2|C<4>}	109.5335	0.074	2	109.5335	0.006	2	109.5335	0.006	2	109.6327	0.032	3	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	108.2370	0.088	3	108.3400	0.024	5	108.3400	0.024	5	108.3400	0.024	5	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,1|C<3>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	108.4945	0.032	2	108.3400	0.024	5	108.3400	0.024	5	108.3400	0.024	5	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-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]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2{5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	107.6718	0.093	4	107.6718	0.009	4	107.6707	0.030	8	107.6707	0.030	8	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-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]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2{5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	107.6697	0.247	4	107.6697	0.061	4	107.6707	0.030	8	107.6707	0.030	8	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	107.9808	0.132	4	108.2941	0.101	13	108.2941	0.101	13	108.2941	0.101	13	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,1|Mg<8>,3|C<3>,5|C<4>}	108.8465	0.245	2	108.2941	0.101	13	108.2941	0.101	13	108.2941	0.101	13	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,1|C<3>,7|C<4>}	108.2365	0.145	2	108.2941	0.101	13	108.2941	0.101	13	108.2941	0.101	13	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	108.2700	0.000	1	108.2941	0.101	13	108.2941	0.101	13	108.2941	0.101	13	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,4|C<3>,4|C<4>}	108.3660	0.119	4	108.2941	0.101	13	108.2941	0.101	13	108.2941	0.101	13	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-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[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(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[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(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>}	109.1640	0.000	1	109.1750	0.012	3	109.1750	0.012	3	112.5992	46.910	4	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-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[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(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[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(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>}	109.1805	0.155	2	109.1750	0.012	3	109.1750	0.012	3	112.5992	46.910	4	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	122.8720	0.000	1	122.8720	0.000	1	122.8720	0.000	1	112.5992	46.910	4	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<8>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	109.1860	0.000	1	109.1860	0.000	1	108.7586	0.125	9	108.7586	0.125	9	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	108.7070	0.321	4	108.7070	0.103	4	108.7586	0.125	9	108.7586	0.125	9	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	108.7032	0.402	4	108.7032	0.162	4	108.7586	0.125	9	108.7586	0.125	9	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2{4|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2{3|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2Cl)2(C[5,6,6]C[5,6,6]2){2|Cl<1>,4|C<3>,4|C<4>}	107.9470	0.000	1	107.9470	0.000	1	107.9470	0.000	1	107.9470	0.000	1	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2{1|Br<1>,2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(C[5,6,6]C[5,6,6]2){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Br)(C[5,6,6]C[5,6,6]2)2{1|Br<1>,2|C<4>,2|O<2>,6|C<3>}	109.7365	0.845	2	109.7365	0.714	2	109.3314	1.057	9	109.3314	1.057	9	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	109.3070	0.000	1	109.3070	0.000	1	109.3314	1.057	9	109.3314	1.057	9	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{1|H<1>,4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{1|H<1>,4|C<4>,6|C<3>}	108.5170	0.325	2	108.5170	0.106	2	109.3314	1.057	9	109.3314	1.057	9	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	109.9010	0.000	1	109.9010	0.000	1	109.3314	1.057	9	109.3314	1.057	9	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2Au)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2{10|C<3>,1|Au<2>,2|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2Au)(C[5,6,6]C[5,6,6]2){10|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)2{10|C<3>,1|Au<2>,2|C<4>}	108.4665	0.384	2	108.4665	0.147	2	109.3314	1.057	9	109.3314	1.057	9	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2{3|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2{4|Cl<1>,2|C<4>,6|C<3>}	111.3350	0.000	1	111.3350	0.000	1	109.3314	1.057	9	109.3314	1.057	9	108.6210	3.458	82	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6]	3:4:3:	3:4:4:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5])	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]){1|C<4>,4|O<2>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]O){1|C<4>,2|O<2>,7|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O){2|C<4>,2|O<2>,5|C<3>}	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5](C[5,6,6]C[5,6,6]C[3x6])2(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])2(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	109.5605	0.400	2	109.5605	0.160	2	109.5605	0.160	2	109.5605	0.160	2	108.6386	6.802	17	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	3:3:4:	3:3:4:	4:3:3:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	108.6386	6.802	17	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	3:4:3:	3:3:4:	3:3:4:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[5](C[5,6,6]C[5,6,6]C[3x6])2(CC3)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C){4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){6|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])2(CC3){2|H<1>,6|C<4>}	109.5105	0.161	2	109.5105	0.026	2	109.5105	0.026	2	109.5105	0.026	2	108.6386	6.802	17	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	3:4:3:	3:4:2:	3:4:2:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[3x6]-4:S[5]-2:	C[5,6,6]-3:C[6]-4:S[5]-2:	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5])	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5])	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5])	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5]){4|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5]){3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5]){5|C<4>,5|H<1>}	116.7800	0.000	1	116.7800	0.000	1	116.7800	0.000	1	116.7800	0.000	1	108.6386	6.802	17	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	3:4:3:	3:4:3:	3:2:3:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:N[5]-2:C-3:	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]C)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]C){1|H<1>,2|C<3>,2|C<4>}	106.1713	0.240	3	106.1713	0.058	3	106.6509	0.578	7	106.6509	0.578	7	108.6386	6.802	17	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	3:4:3:	3:4:3:	3:2:3:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:N[5]-2:C-3:	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]H)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]H){1|H<1>,2|C<3>,2|C<4>}	107.0105	0.846	4	107.0105	0.716	4	106.6509	0.578	7	106.6509	0.578	7	108.6386	6.802	17	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	3:4:3:	3:4:3:	3:3:2:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C-3:N[5]-2:	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[5](C[5,6,6]C[5,6,6]C[3x6])(CC[5a]C[6a])(N[5]C[5])	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	108.6386	6.802	17	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	C[5](C[5,6,6]C[5,6,6]C[3x6])(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(O[5]C[5])(O){1|N<3>,2|C<4>,3|H<1>}	109.2860	0.259	2	109.2860	0.067	2	109.3177	0.036	3	109.3177	0.036	3	108.6386	6.802	17	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-4:	C[5,6,6]-3:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH)	C[5](C[5,6,6]C[5,6,6]C[3x6])(O[5]C[5])(O)	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5])(C[5]O[5]HH){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(O[5]C[5])(O){1|O<2>,2|C<4>,3|H<1>}	109.3810	0.000	1	109.3810	0.000	1	109.3177	0.036	3	109.3177	0.036	3	108.6386	6.802	17	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	N[6,6]-3:C[5,6]-3:C[5,6]-3:	C[5,6,6]-3:C[6]-3:C[5]-3:	C[5,6,6]-3:N[5]-3:N[6]-2:	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)	C[5,6](C[5,6,6]C[5,6]N[6,6])(N[5]C[6a]C[5])(N[6]C[6,6a])	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>}	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[5,6](C[5,6,6]C[5,6]N[6,6])(N[5]C[6a]C[5])(N[6]C[6,6a]){1|O<1>,6|C<3>}	110.6850	0.293	3	110.6850	0.086	3	110.6850	0.086	3	110.6850	0.086	3	110.6390	0.066	4	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2{10|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,1|O<1>,8|C<3>}	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	110.6390	0.066	4	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,5,6]	C[5,6]	3:3:1:	4:4:3:	4:3:1:	C[5,5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	103.1870	0.000	1	103.1870	0.000	1	103.1870	0.000	1	103.1870	0.000	1	103.1870	0.000	1	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,5,6]	C[5]	3:4:3:	4:3:4:	3:4:1:	C[5,5,6]-3:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6])(C[5,5]C[5]2H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6])(C[5,5]C[5]2H){1|O<1>,2|O<2>,3|C<4>,9|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O){3|C<4>,3|H<1>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,5]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[5,5]-3:	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[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]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[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>}	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>}	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6]-3:C[6]-3:C[5]-3:	N[6,6]-3:C[5,6]-3:C[5,6]-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[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](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[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>}	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>}	106.6177	0.172	3	106.6177	0.030	3	106.6177	0.030	3	106.6177	0.030	3	107.7804	1.148	9	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6]	C[5]	3:3:3:	4:4:3:	3:3:3:	C[5,6,6]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	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[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](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[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>}	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>}	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	107.7804	1.148	9	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6]	C[5]	3:4:3:	4:4:3:	3:2:1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])	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[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(O){3|C<4>,3|H<1>}	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	107.7804	1.148	9	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6]	C[5]	3:4:3:	4:4:3:	3:4:1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|O<2>,4|C<4>,9|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){3|C<4>,3|H<1>}	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	109.0007	0.003	3	107.7804	1.148	9	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6]	C[5]	3:4:3:	4:4:3:	3:4:1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,3|C<4>,9|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){3|C<4>,3|H<1>}	109.0330	0.020	2	109.0330	0.000	2	109.0330	0.000	2	109.0007	0.003	3	107.7804	1.148	9	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6]	C[5]	4:3:3:	3:4:3:	4:3:2:	C[5,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5])	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O){2|C<4>,2|O<2>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6,6]C[5,6,6a]2O)(C[5,6]C[5,6]C[5]){1|C<4>,4|O<2>,6|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5]){1|O<2>,2|C<4>,5|C<3>}	107.1510	0.000	1	107.1510	0.000	1	107.1510	0.000	1	107.1510	0.000	1	107.7804	1.148	9	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	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[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)	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[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[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>}	106.5780	0.000	1	107.4935	1.676	2	107.4935	1.676	2	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	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[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)	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[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[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>}	108.4090	0.000	1	107.4935	1.676	2	107.4935	1.676	2	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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[5,6]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)	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>}	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>}	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>}	108.2605	0.727	4	108.2605	0.528	4	108.2605	0.528	4	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ag){1|O<1>,2|H<1>,3|C<3>}	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[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>}	109.3730	0.283	2	109.3730	0.080	2	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Co){1|O<1>,2|H<1>,3|C<3>}	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[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>}	109.7892	0.475	8	109.7892	0.225	8	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Cu){1|C<4>,2|H<1>,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){1|Cu<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>}	107.4400	0.581	6	108.0061	0.760	10	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Cu){2|H<1>,4|C<3>}	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[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>}	108.7180	0.505	2	108.0061	0.760	10	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Cu){2|H<1>,4|C<3>}	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[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>}	108.9925	0.125	2	108.0061	0.760	10	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Cu){2|H<1>,4|C<3>}	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[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>}	109.1095	0.043	2	109.1095	0.002	2	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ni){2|H<1>,4|C<3>}	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[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>}	108.8560	1.195	2	108.8560	1.428	2	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ni){1|O<1>,2|H<1>,3|C<3>}	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[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>}	110.2875	0.622	2	110.2875	0.386	2	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Pt){2|H<1>,4|C<3>}	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[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>}	108.4710	0.033	2	108.4710	0.001	2	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Rh){1|C<4>,2|H<1>,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){1|Rh<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>}	109.1810	0.000	1	108.8753	0.097	9	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Rh){1|C<4>,2|H<1>,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){1|Rh<6>,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>}	108.7722	0.163	4	108.8753	0.097	9	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Rh){2|H<1>,4|C<3>}	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[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>}	108.9020	0.431	4	108.8753	0.097	9	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ru){1|B<3>,2|H<1>,3|C<3>}	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[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>}	108.5955	0.234	2	108.5955	0.055	2	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ru){1|C<4>,2|H<1>,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){1|Ru<8>,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>}	108.4275	0.275	6	108.4275	0.076	6	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ru){3|C<3>,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){1|Ru<6>,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){3|C<3>,3|H<1>}	108.5703	0.530	4	108.5703	0.281	4	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Zn){3|C<3>,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){1|Zn<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]Zn){3|C<3>,3|H<1>}	108.3170	0.130	2	108.3170	0.017	2	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Zn){1|O<1>,2|H<1>,3|C<3>}	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[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>}	109.4850	0.011	2	109.4850	0.000	2	108.8318	0.664	53	108.7477	0.729	59	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	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[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)	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[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[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>}	113.2520	0.351	2	113.2520	0.123	2	113.4338	0.194	4	113.4338	0.194	4	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	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[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)	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[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[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>}	113.6155	0.572	2	113.6155	0.327	2	113.4338	0.194	4	113.4338	0.194	4	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ir){2|C<4>,2|H<1>,3|C<3>}	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[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>}	110.2520	0.110	2	110.2520	0.012	2	110.0028	0.178	11	110.0028	0.178	11	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Pt){3|C<3>,4|H<1>}	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[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>}	110.0575	0.416	2	109.8423	0.143	4	110.0028	0.178	11	110.0028	0.178	11	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Pt){3|H<1>,4|C<3>}	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[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>}	109.6270	0.266	2	109.8423	0.143	4	110.0028	0.178	11	110.0028	0.178	11	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ru){1|C<4>,3|C<3>,3|H<1>}	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[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>}	110.3405	0.535	2	110.3405	0.287	2	110.0028	0.178	11	110.0028	0.178	11	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ru){3|C<3>,4|H<1>}	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[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>}	109.9740	0.612	2	109.9740	0.375	2	110.0028	0.178	11	110.0028	0.178	11	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ru){1|Ru<8>,3|C<3>,3|H<1>}	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[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>}	109.5290	0.000	1	109.5290	0.000	1	110.0028	0.178	11	110.0028	0.178	11	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-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])	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[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(C[6]C[6]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]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<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){1|O<1>,2|H<1>,5|C<3>}	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>}	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-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)	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[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[5,6]C[5,5]C[6])(C[5,6]C[5,6]N[6])(N[6]C[6]Ir){1|H<1>,6|C<3>}	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[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>}	108.9720	0.000	1	109.9560	1.937	2	109.9560	1.937	2	109.9560	1.937	2	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-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)	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[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[5,6]C[5,5]C[6])(C[5,6]C[5,6]N[6])(N[6]C[6]Ir){2|H<1>,5|C<3>}	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[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>}	110.9400	0.000	1	109.9560	1.937	2	109.9560	1.937	2	109.9560	1.937	2	109.2023	1.826	77	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:2:3:	3:2:3:	3:3:1:	C[5,6]-3:S[6]-2:C[5]-3:	C[5,6]-3:S[6]-2:C[5]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|S<2>}	108.6470	1.569	6	108.6470	2.461	6	108.4907	0.552	28	108.4773	0.527	30	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:2:3:	3:2:3:	3:3:1:	C[5,6]-3:S[6]-2:C[5]-3:	C[5,6]-3:S[6]-2:C[5]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|S<2>}	108.4481	0.339	22	108.4481	0.115	22	108.4907	0.552	28	108.4773	0.527	30	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:2:3:	3:2:3:	3:3:1:	C[5,6]-3:Se[6]-2:C[5]-3:	C[5,6]-3:Se[6]-2:C[5]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]Se[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]Se[6])(N[5]C[5]C)(O){1|Se<2>,1|C<3>,1|O<1>}	108.2900	0.547	2	108.2900	0.300	2	108.2900	0.300	2	108.4773	0.527	30	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:2:3:	4:3:4:	3:3:1:	C[5,6]-3:O[6]-2:C[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O)	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	110.9190	0.000	1	110.9190	0.000	1	111.0315	0.025	2	111.0315	0.025	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:2:3:	4:3:4:	3:3:1:	C[5,6]-3:O[6]-2:C[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	111.1440	0.000	1	111.1440	0.000	1	111.0315	0.025	2	111.0315	0.025	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:3:2:	3:2:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>}	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	112.1893	9.146	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:3:2:	3:2:1:	C[5,6]-3:C[5]-3:S[6]-2:	C[5,6]-3:C[5]-3:S[6]-2:	C[5,6]-3:S[5]-2:O-1:	C[5,6](C[5,6]C[5]S[6])(C[5]S[5]O)(S[6]C[6])	C[5,6](C[5,6]C[5]S[6])(C[5]S[5]O)(S[6]C[6])	C[5](C[5,6]C[5,6]S[6])(S[5]C[5])(O)	C[5,6](C[5,6]C[5]S[6])(C[5]S[5]O)(S[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]S[6])(C[5]S[5]O)(S[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]S[6])(S[5]C[5])(O){1|C<4>,1|O<1>,1|S<2>}	113.9195	0.575	2	113.9195	0.330	2	113.9195	0.330	2	112.1893	9.146	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:3:2:	3:2:3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:O[5]-2:C-3:	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(CCH)	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(CCH){1|C<4>,1|O<1>,1|O<2>}	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-2:	C[5,6]-3:C[5]-3:C[6]-2:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(C[6]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6])	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(C[6]C[6]){1|S<4>,2|C<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]){1|C<2>,1|O<1>,1|S<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(O){3|C<2>}	109.5215	0.094	2	109.5215	0.009	2	109.5215	0.009	2	109.2040	0.307	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-2:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]O)(C[6]C[6])	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6])	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]O)(C[6]C[6]){1|Br<1>,1|C<2>,1|C<3>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|N<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O){1|C<2>,2|C<3>}	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	109.2040	0.307	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5,6]-3:C[5]-3:C[6]-2:	C[5,6]-3:C[5]-3:C[6]-2:	C[5,6]-3:N[5]-3:C-2:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(C[6]C[6])	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(CO)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]){1|C<2>,1|O<1>,1|S<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(C[6]C[6]){1|S<4>,2|C<2>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(CO){1|O<1>,2|C<2>}	108.9435	0.144	2	108.9435	0.021	2	108.9435	0.021	2	108.9435	0.021	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:3:2:	3:4:2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:S[5]-4:C-2:	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(S[5]C[5]OO)(CC)	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]O[6])(S[5]C[5]OO)(CC){1|C<2>,1|C<4>,1|O<2>}	114.3730	0.679	2	114.3730	0.461	2	114.3730	0.461	2	114.3730	0.461	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:3:2:	3:4:3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:S[5]-4:C-3:	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(S[5]C[5]OO)(CCS)	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]O[6])(S[5]C[5]OO)(CCS){1|C<3>,1|C<4>,1|O<2>}	114.1425	0.258	4	114.1425	0.067	4	114.1425	0.067	4	114.1425	0.067	4	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){4|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5]){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,6|C<3>}	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5,6]-3:C[5]-3:S[6]-2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:	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)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH)	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>}	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[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH){5|C<3>}	112.4335	1.993	2	112.4335	3.973	2	112.4335	3.973	2	110.7283	8.532	4	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5,6]-3:C[5]-3:Se[6]-2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:	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)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH)	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>}	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[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH){5|C<3>}	109.0230	3.161	2	109.0230	9.990	2	109.0230	9.990	2	110.7283	8.532	4	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:4:3:	3:3:3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:C[5]-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)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]O)(CHH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]O)(CHH){1|O<1>,2|C<4>}	111.2180	0.376	3	111.2180	0.141	3	111.2180	0.141	3	111.2092	0.094	4	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	3:4:3:	3:3:3:	C[5,6]-3:C[5]-3:O[6]-2:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){1|H<1>,2|C<4>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6]){1|Si<4>,1|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	111.2092	0.094	4	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	111.8580	0.000	1	111.6502	0.396	9	111.6502	0.396	9	111.6502	0.396	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	112.4920	0.000	1	111.6502	0.396	9	111.6502	0.396	9	111.6502	0.396	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	111.1230	0.453	2	111.6502	0.396	9	111.6502	0.396	9	111.6502	0.396	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	110.6400	0.000	1	111.6502	0.396	9	111.6502	0.396	9	111.6502	0.396	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<2>,1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	112.0790	0.000	1	111.6502	0.396	9	111.6502	0.396	9	111.6502	0.396	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	111.8380	0.000	1	111.6502	0.396	9	111.6502	0.396	9	111.6502	0.396	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	111.8495	0.579	2	111.6502	0.396	9	111.6502	0.396	9	111.6502	0.396	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	3:4:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]BrC)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]BrC)(O){1|C<3>,1|H<1>,2|C<4>}	113.3200	0.000	1	113.3200	0.000	1	112.2182	0.420	6	112.2182	0.420	6	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	3:4:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,2|C<4>}	111.6790	0.100	2	111.9978	0.160	5	112.2182	0.420	6	112.2182	0.420	6	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	3:4:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,2|C<4>}	112.2103	0.383	3	111.9978	0.160	5	112.2182	0.420	6	112.2182	0.420	6	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	3:4:2:	C[5,6]-3:C[5]-3:O[6]-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:N-2:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(NO)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(NO){2|C<4>,2|H<1>}	112.4880	0.000	1	112.4880	0.000	1	112.4880	0.000	1	112.4880	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:2:	4:3:4:	4:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6])	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[6])(O)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6]){3|H<1>,6|C<4>}	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[6])(O){2|H<1>,5|C<4>}	111.4980	0.430	2	111.4980	0.185	2	111.4980	0.185	2	111.4980	0.185	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6]-3:N[6]-3:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-3:H-1:	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])	C[5](C[5,6]C[5,6]N[6])(C[5]O[5]O)(H)	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>}	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[5](C[5,6]C[5,6]N[6])(C[5]O[5]O)(H){1|C<4>,2|C<3>}	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6]-3:N[6]-3:Se[5]-2:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]Se[5]N[6])(C[5]C[5]C)(N[6]C[6]C)	C[5,6](C[5,6]C[5]N[6])(N[6]C[6a]C[6])(Se[5]C[5])	C[5](C[5,6]C[5,6]N[6])(C[5]Se[5]C)(COO)	C[5,6](C[5,6]Se[5]N[6])(C[5]C[5]C)(N[6]C[6]C){1|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]N[6])(N[6]C[6a]C[6])(Se[5]C[5]){1|C<4>,1|S<2>,5|C<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]Se[5]C)(COO){1|C<3>,1|C<4>,1|N<3>}	113.8350	0.000	1	113.8350	0.000	1	113.8350	0.000	1	109.1415	44.058	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-3:	C[6]-3:C[5,6]-3:N[5]-2:	C[5,6]-3:C-3:C[5]-3:	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])	C[5](C[5,6]C[5,6]C[6])(CC[5a]C[6a])(C[5]N[5]H)	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>}	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[5](C[5,6]C[5,6]C[6])(CC[5a]C[6a])(C[5]N[5]H){1|Re<6>,1|C<3>,1|N<3>}	104.4480	0.000	1	104.4480	0.000	1	104.4480	0.000	1	109.1415	44.058	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:O[5]-2:	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	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[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[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H){1|C<4>,2|C<3>}	106.4190	0.000	1	106.4190	0.000	1	106.8650	0.398	2	106.9950	0.156	4	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:O[5]-2:	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5])	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[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[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H){1|C<4>,2|C<3>}	107.3110	0.000	1	107.3110	0.000	1	106.8650	0.398	2	106.9950	0.156	4	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-4:O-1:	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])	C[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O)	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>}	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[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O){3|C<3>}	107.1250	0.037	2	107.1250	0.001	2	107.1250	0.001	2	106.9950	0.156	4	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){1|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]){1|H<1>,2|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,5|C<3>}	107.5510	0.000	1	107.5510	0.000	1	107.5510	0.000	1	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:Cl-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)	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl)	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>}	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl){1|H<1>,5|C<3>}	106.4210	0.000	1	106.4210	0.000	1	106.4210	0.000	1	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pt)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(H){2|C<3>,2|H<1>,2|N<3>}	107.7225	0.993	2	107.7225	0.987	2	107.5643	0.234	8	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(H){2|C<3>,2|H<1>,2|N<3>}	107.4387	0.411	4	107.4387	0.169	4	107.5643	0.234	8	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Zn)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(H){2|C<3>,2|H<1>,2|N<3>}	107.6570	0.106	2	107.6570	0.011	2	107.5643	0.234	8	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ag)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	107.9790	0.293	2	107.9790	0.086	2	107.6834	0.971	19	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Co)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	107.2401	0.938	8	107.2401	0.879	8	107.6834	0.971	19	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ni)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	106.9587	0.256	3	106.9587	0.065	3	107.6834	0.971	19	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	108.9377	0.698	4	108.9377	0.487	4	107.6834	0.971	19	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Zn)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	107.7390	0.170	2	107.7390	0.029	2	107.6834	0.971	19	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C)	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[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>}	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>}	108.7635	0.023	2	108.7635	0.001	2	108.7268	0.305	5	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]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[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>}	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>}	107.9660	0.000	1	107.9660	0.000	1	108.7268	0.305	5	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	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[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>}	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>}	108.6220	0.000	1	108.6220	0.000	1	108.7268	0.305	5	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	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[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>}	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>}	109.5190	0.000	1	109.5190	0.000	1	108.7268	0.305	5	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:O-1:	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)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(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){1|H<1>,1|O<1>,5|C<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){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	108.0120	0.000	1	107.0820	1.730	2	107.0820	1.730	2	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:O-1:	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)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(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){1|O<1>,1|O<2>,5|C<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){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	106.1520	0.000	1	107.0820	1.730	2	107.0820	1.730	2	107.7297	0.854	36	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	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[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>}	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>}	108.7600	0.569	2	108.7600	0.323	2	108.7600	0.323	2	107.9959	0.272	17	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(COO){2|C<3>,2|H<1>,2|N<3>}	107.6425	0.640	2	107.6425	0.410	2	107.8286	0.163	10	107.9959	0.272	17	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(CSS){2|C<3>,2|H<1>,2|N<3>}	108.1290	0.175	2	108.1290	0.031	2	107.8286	0.163	10	107.9959	0.272	17	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ni)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(CSS){2|C<3>,2|H<1>,2|N<3>}	108.0355	0.691	2	108.0355	0.477	2	107.8286	0.163	10	107.9959	0.272	17	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Rh)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(COO){2|C<3>,2|H<1>,2|N<3>}	107.6680	0.194	4	107.6680	0.038	4	107.8286	0.163	10	107.9959	0.272	17	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu)	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[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>}	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>}	107.5235	0.501	2	107.5235	0.251	2	107.5235	0.251	2	107.9959	0.272	17	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-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])	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[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	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>}	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[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	107.9959	0.272	17	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-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])	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[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2)	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>}	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[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2){10|C<3>}	108.3685	0.120	2	108.3685	0.014	2	108.3685	0.014	2	107.9959	0.272	17	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|C<3>,2|H<1>,2|N<3>}	109.1395	0.389	6	109.1395	0.151	6	108.1786	0.751	17	108.2640	0.785	19	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Rh)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(CRhOO){2|C<3>,2|H<1>,2|N<3>}	106.9295	0.866	2	107.3910	0.288	6	108.1786	0.751	17	108.2640	0.785	19	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Rh)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(CRhOO){2|C<3>,2|H<1>,2|N<3>}	107.6217	0.127	4	107.3910	0.288	6	108.1786	0.751	17	108.2640	0.785	19	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	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[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>}	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|C<3>,2|H<1>,2|N<3>}	107.9708	0.294	5	107.9708	0.086	5	108.1786	0.751	17	108.2640	0.785	19	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	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[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](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[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[5](C[5,6]C[5,6]C[6])2(CCHH){2|O<1>,4|C<3>}	109.6770	0.000	1	108.9895	0.945	2	108.9895	0.945	2	108.2640	0.785	19	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	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[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](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[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[5](C[5,6]C[5,6]C[6])2(CCHH){2|O<1>,4|C<3>}	108.3020	0.000	1	108.9895	0.945	2	108.9895	0.945	2	108.2640	0.785	19	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]O)(N[6]C[6]C)	C[5,6](C[5,6]C[5]N[6])(N[5]C[5]C)(N[6]C[6]C)	C[5](C[5,6]C[5,6]N[6])(C[5]N[5]HH)(O)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]O)(N[6]C[6]C){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]N[6])(N[5]C[5]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]N[5]HH)(O){1|C<3>,1|N<3>,2|C<4>}	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C[6]-3:	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[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]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[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[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>}	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	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)	C[5](C[5,6]C[6,6a]C[5,6])(O[5]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){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	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[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])(O){2|C<4>,3|C<3>}	105.8325	0.364	2	105.8325	0.133	2	105.8325	0.133	2	105.8325	0.133	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-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[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH)	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[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[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:2:	3:2:1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:N[6]-2:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]O[5]CC)(N[6]S[6])	C[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6])(C[5]O[5]O){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]O[5]CC)(N[6]S[6]){2|O<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])(O){1|N<2>,2|C<3>,2|C<4>}	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:2:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:O[5]-2:	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	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[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>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCO){1|O<1>,2|C<4>}	108.0825	0.538	2	108.0825	0.290	2	108.0825	0.290	2	108.0825	0.290	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:2:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:O[5]-2:	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	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[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>}	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>}	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]){1|H<1>,3|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|C<4>,1|H<1>,4|C<3>}	108.2615	0.276	2	108.2615	0.076	2	108.2615	0.076	2	108.6194	0.145	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	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[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](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[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>}	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>}	108.8580	0.195	3	108.8580	0.038	3	108.8580	0.038	3	108.6194	0.145	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	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[5]-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[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O)	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[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>}	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>}	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:B[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C)	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[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>}	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>}	108.7675	0.428	2	108.7675	0.183	2	108.7675	0.183	2	108.7675	0.183	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:N[6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:N-3:	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)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Co)	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>}	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[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Co){2|C<3>,2|H<1>}	114.1610	0.000	1	114.1610	0.000	1	112.6987	1.604	3	112.6987	1.604	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:N[6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:N-3:	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)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Ni)	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>}	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[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Ni){2|C<3>,2|H<1>}	111.9675	0.029	2	111.9675	0.001	2	112.6987	1.604	3	112.6987	1.604	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:4:	3:2:1:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-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[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO)	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[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>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,2|C<4>,2|O<2>}	106.8050	0.000	1	106.8050	0.000	1	106.8050	0.000	1	108.3400	4.712	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:4:	3:2:1:	N[4,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[4,6]C[4,6]C[4])(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]N[4,6]C[5])(C[5]O[5]HH)(C[6]S[6]HH)	C[5](C[5,6]C[5,6]N[4,6])(O[5]C[5])(O)	C[5,6](N[4,6]C[4,6]C[4])(C[5,6]C[5]C[6])(C[5]O[5]O){1|C<4>,1|O<1>,1|S<2>,5|H<1>}	C[5,6](C[5,6]N[4,6]C[5])(C[5]O[5]HH)(C[6]S[6]HH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6]C[5,6]N[4,6])(O[5]C[5])(O){1|C<3>,2|C<4>,2|H<1>}	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	108.3400	4.712	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:4:	3:3:1:	N[6,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O)	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH)	C[5](C[5,6]C[5,6]N[6,6])(N[5]C[5]C)(O)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]N[6,6])(N[5]C[5]C)(O){2|H<1>,3|C<4>}	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(O){1|H<1>,1|S<4>,3|C<4>}	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	4:3:2:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	Se[5,5]-4:C[5,6]-3:C[6]-2:	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[5,6](Se[5,5]C[5,6a]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6])	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[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>}	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>}	120.2040	0.000	1	120.2040	0.000	1	120.2040	0.000	1	120.2040	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-3:	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[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]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[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>}	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>}	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	108.6452	0.477	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6]-3:C[5]-3:N[6]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>}	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.6452	0.477	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6]-3:N[6]-3:C[5]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	108.6452	0.477	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[6]-3:C[5,6]-3:C[5]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	109.1260	0.105	2	109.1260	0.011	2	109.1260	0.011	2	108.6452	0.477	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	4:3:3:	3:3:2:	C[5,6]-3:C[5]-3:N[6]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:N[5]-3:N-2:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H)	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(NC)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(NC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-3:	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[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	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[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[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>}	111.9090	0.000	1	111.9090	0.000	1	111.9090	0.000	1	111.9090	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	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[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](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[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[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>}	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	4:3:4:	3:2:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[4,5]-4:C[5,6]-3:C[6]-4:	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[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](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[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>}	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>}	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	4:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO)	C[5](C[5,6]C[5a,6]C[5,6])(N[5]C[5]C)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5a,6]C[5,6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:3:	4:3:4:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[4,6]-4:C[5,6]-3:C[5]-4:	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[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](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[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>}	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>}	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:2:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6a]-3:C[5]-3:	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])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	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>}	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[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|C<3>,4|H<1>}	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	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[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(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]HH)	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[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	108.5907	0.146	3	108.5907	0.021	3	108.5907	0.021	3	108.5907	0.021	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:3:2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:B[5]-3:Se[5]-2:	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(B[5]O[5]2)(Se[5]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH){1|B<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH){1|B<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(B[5]O[5]2)(Se[5]C[5]){1|B<3>,2|H<1>,4|C<4>}	115.1265	0.223	2	115.1265	0.050	2	115.1265	0.050	2	115.1265	0.050	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5a]-3:P[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]P[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|P<3>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|P<3>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]P[5]){2|C<4>,3|H<1>,5|C<3>}	114.1615	0.514	8	114.1615	0.264	8	114.1615	0.264	8	114.1614	0.199	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6a]-3:P[5]-3:	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[6a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[6a]C[5]){2|C<4>,3|H<1>,5|C<3>}	114.1612	0.336	4	114.1612	0.113	4	114.1612	0.113	4	114.1614	0.199	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5a]-3:P[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	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])(C[5a]C[5a]S[5a])(P[5]C[5]C[6]Pd)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Pd<4>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	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>}	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]C[6]Pd){3|C<3>,4|C<4>,4|H<1>}	115.3850	0.000	1	115.3850	0.000	1	115.3850	0.000	1	115.3850	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:P[5]-4:C[5a]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Os)(C[5a]C[5a]S[5a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Os<4>,1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Os<4>,1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Os)(C[5a]C[5a]S[5a]){2|C<4>,3|H<1>,5|C<3>}	114.8700	0.879	4	114.8700	0.772	4	114.8700	0.772	4	114.6390	0.562	27	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]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])	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>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Pd<4>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	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>}	113.3280	0.000	1	113.3280	0.000	1	114.4860	0.531	16	114.6390	0.562	27	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	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])	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>}	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>}	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>}	114.6732	0.703	12	114.6732	0.494	12	114.4860	0.531	16	114.6390	0.562	27	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]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])	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>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	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>}	114.4320	0.000	1	114.4320	0.000	1	114.4860	0.531	16	114.6390	0.562	27	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]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])	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>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,4|C<3>,4|H<1>}	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>}	113.9690	0.481	2	113.9690	0.231	2	114.4860	0.531	16	114.6390	0.562	27	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:P[5]-4:C[6a]-3:	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])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6a]C[6a]N[6a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	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>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6a]C[6a]N[6a]){2|C<4>,3|H<1>,5|C<3>}	113.3650	0.000	1	113.3650	0.000	1	114.8569	0.569	7	114.6390	0.562	27	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:P[5]-4:C[6a]-3:	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])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,4|C<3>,4|H<1>}	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>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	115.0450	0.474	2	115.0450	0.224	2	114.8569	0.569	7	114.6390	0.562	27	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:P[5]-4:C[6a]-3:	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[6a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Au)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Au<2>,1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Au<2>,1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Au)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	115.5110	0.045	2	115.5110	0.002	2	114.8569	0.569	7	114.6390	0.562	27	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:P[5]-4:C[6a]-3:	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[6a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	114.7605	0.128	2	114.7605	0.016	2	114.8569	0.569	7	114.6390	0.562	27	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:3:4:	5:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	P[5]-5:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	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])	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>}	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>}	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>}	113.7788	0.160	4	113.7788	0.025	4	113.7788	0.025	4	113.7788	0.025	4	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:4:2:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	C[5](C[5,6]C[5,6]C[6])(C[5,6]O[5]S[6]2)(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|S<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5,6]O[5]S[6]2)(O){2|H<1>,4|C<4>}	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:4:2:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,5]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5](C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:4:3:	3:3:2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:Ge[5]-4:C[6]-3:	C[5,6]-3:C[6a]-3:O[5]-2:	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)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Ge[5])	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>}	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[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Ge[5]){1|D<1>,3|C<3>,3|C<4>,3|H<1>}	115.7310	0.000	1	115.7310	0.000	1	115.7310	0.000	1	115.7310	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:4:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(N[6]C[6]2)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:4:3:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6a]-3:P[5]-4:	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)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[5]C[6]Pd)	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>}	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[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[5]C[6]Pd){3|C<4>,4|C<3>,5|H<1>}	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:4:3:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:C[6a]-3:	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)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]N[6a])	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>}	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[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]N[6a]){1|C<4>,4|H<1>,6|C<3>}	116.2720	0.000	1	116.2720	0.000	1	116.2720	0.000	1	116.2720	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	3:4:3:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,3|C<4>,5|H<1>}	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	4:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]C)(N[6]C[6]2)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH){1|C<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]C)(N[6]C[6]2){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-3:	C[3x5]-3:C[5,6]-3:Si-4:	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH)	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5](C[3x5]C[3x5,6]C[5,5,6])(C[5,6]C[5,6]C[6])(SiC3)	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|Si<4>,2|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[3x5]C[3x5,6]C[5,5,6])(C[5,6]C[5,6]C[6])(SiC3){3|C<3>,3|C<4>,3|H<1>}	112.8320	0.000	1	112.8320	0.000	1	112.8320	0.000	1	112.8320	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[3x5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:O-1:	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)	C[5](C[5,5]C[3x5]C[5]H)(C[5,6]C[5,6]C[6])(O)	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>}	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[5](C[5,5]C[3x5]C[5]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){2|H<1>,7|C<4>}	109.3110	0.000	1	109.3110	0.000	1	109.3525	0.003	2	109.3525	0.003	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	109.3940	0.000	1	109.3940	0.000	1	109.3525	0.003	2	109.3525	0.003	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:2:3:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:Se[5]-2:C[6]-3:	C[5,6]-3:Se[5]-2:H-1:	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)	C[5](C[5,6]C[5,6]C[6])(Se[5]Se[5])(H)	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>}	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[5](C[5,6]C[5,6]C[6])(Se[5]Se[5])(H){1|C<3>,1|C<4>,2|H<1>}	120.0800	0.000	1	120.0800	0.000	1	120.0800	0.000	1	120.0800	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:2:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	106.5550	0.000	1	106.5550	0.000	1	106.5550	0.000	1	106.5550	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:2:4:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)	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])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH){1|O<1>,2|C<3>,4|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>}	107.9130	0.000	1	107.9130	0.000	1	107.9130	0.000	1	107.9130	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6])	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O){1|C<3>,2|N<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6]){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	105.9880	0.000	1	105.9880	0.000	1	105.9880	0.000	1	111.3675	57.878	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:S[5]-2:H-1:	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])	C[5](C[5,6]C[5,6]C[6])(S[5]S[5])(H)	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>}	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[5](C[5,6]C[5,6]C[6])(S[5]S[5])(H){1|C<3>,1|C<4>,2|H<1>}	116.7470	0.000	1	116.7470	0.000	1	116.7470	0.000	1	111.3675	57.878	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6])	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]O)(O)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]O)(O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	107.5090	0.624	3	107.5090	0.390	3	107.5090	0.390	3	107.5657	0.209	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-3:H-1:	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])	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	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>}	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[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	107.4550	0.000	1	107.4550	0.000	1	107.6910	0.111	2	107.5657	0.209	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-3:H-1:	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])	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	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>}	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[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	107.9270	0.000	1	107.9270	0.000	1	107.6910	0.111	2	107.5657	0.209	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6])	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]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.2140	0.000	1	108.2140	0.000	1	107.5541	0.228	7	107.5657	0.209	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6])	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]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	107.6963	0.433	3	107.6963	0.188	3	107.5541	0.228	7	107.5657	0.209	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a])	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]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,2|H<1>,4|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|O<2>,2|H<1>,3|C<3>}	107.4040	0.000	1	107.4040	0.000	1	107.5541	0.228	7	107.5657	0.209	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	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]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){1|C<4>,2|H<1>,2|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>,1|O<2>,2|H<1>,3|C<3>}	107.0860	0.182	2	107.0860	0.033	2	107.5541	0.228	7	107.5657	0.209	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-3:O-2:	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])	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(OH)	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>}	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[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(OH){1|C<3>,1|H<1>,2|C<4>}	106.6845	0.016	2	106.6845	0.000	2	106.6845	0.000	2	106.6845	0.000	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-3:C-4:	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])	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	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>}	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[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	108.1890	0.000	1	108.4005	0.089	2	108.4005	0.089	2	108.4005	0.089	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:2:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-3:C-4:	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])	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	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>}	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[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	108.6120	0.000	1	108.4005	0.089	2	108.4005	0.089	2	108.4005	0.089	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-3:O-1:	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)	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[6]C[6]CC)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	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[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){2|C<3>,3|C<4>}	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	108.6918	0.162	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C)	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[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	109.0760	0.000	1	109.0760	0.000	1	108.9475	0.086	4	108.6918	0.162	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3])	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[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3]){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	109.1030	0.000	2	109.1030	0.000	2	108.9475	0.086	4	108.6918	0.162	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	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](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[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	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<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	108.5080	0.000	1	108.5080	0.000	1	108.9475	0.086	4	108.6918	0.162	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	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[6]C[5,6]CC)(C[5]C[5,6a]O){5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,7|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|N<3>,4|C<3>}	108.7595	0.230	2	108.7653	0.027	3	108.7547	0.013	6	108.6918	0.162	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	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[6]C[5,6]CC)(C[5]C[5,6a]O){5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|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|N<3>,4|C<3>}	108.7770	0.000	1	108.7653	0.027	3	108.7547	0.013	6	108.6918	0.162	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CC)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	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[6]C[6,6]CC)(C[5]C[5,6a]O){5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|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|N<3>,4|C<3>}	108.6620	0.000	1	108.6620	0.000	1	108.7547	0.013	6	108.6918	0.162	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	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[6]C[6,6]CH)(C[5]C[5,6a]O){5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|O<1>,2|C<4>,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|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.7850	0.000	1	108.7850	0.000	1	108.7547	0.013	6	108.6918	0.162	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	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[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	108.7850	0.000	1	108.7850	0.000	1	108.7547	0.013	6	108.6918	0.162	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O){1|C<3>,1|C<4>,3|H<1>}	107.6800	0.000	1	107.6800	0.000	1	107.6800	0.000	1	108.6918	0.162	12	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	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)	C[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3)	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>}	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[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|F<1>}	107.7030	0.033	2	107.7030	0.001	2	107.7030	0.001	2	107.7030	0.001	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,4|H<1>}	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	108.2570	0.098	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O){2|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	108.2570	0.098	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	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)	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[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	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[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,4|H<1>}	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	108.2570	0.098	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:4:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:	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)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	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>}	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[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,1|N<3>,4|H<1>}	111.3655	0.156	2	111.3655	0.024	2	111.3655	0.024	2	110.5273	2.120	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:4:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH){1|Si<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	110.5273	2.120	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:4:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(O){1|C<3>,2|C<4>,2|H<1>}	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1	108.6800	0.583	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:4:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O)	C[5,6](N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O){3|C<3>,4|H<1>}	C[5,6](N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	108.6800	0.583	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCH)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){2|C<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCH){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	112.1250	0.040	2	112.1250	0.002	2	112.1250	0.002	2	112.1250	0.002	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:2:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[5]-3:Br-1:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(Br)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(Br){2|C<3>,2|C<4>,2|H<1>}	113.0715	0.350	2	113.0715	0.123	2	113.0715	0.123	2	113.1980	0.109	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:2:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[5]-3:I-1:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(I)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|I<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(I){2|C<3>,2|C<4>,2|H<1>}	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	113.1980	0.109	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:2:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[5]-3:C-2:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(CC)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(CC){2|C<3>,2|C<4>,2|H<1>}	114.7960	0.000	1	114.7960	0.000	1	114.7960	0.000	1	114.7960	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:2:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5](C[5,6]C[5,6]C[6])(C[5]Se[5]N)(COO)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]Se[5]N)(COO){2|C<4>,2|H<1>}	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:2:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])	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])(C[6]C[5]C[6]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|S<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,3|H<1>}	107.9070	0.000	1	107.9070	0.000	1	107.8796	0.787	5	107.8796	0.787	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:2:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6])	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)(O)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)(O){1|O<2>,2|C<4>,3|H<1>}	107.8727	1.024	4	107.8727	1.050	4	107.8796	0.787	5	107.8796	0.787	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(H){1|C<3>,2|C<4>,2|H<1>}	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	108.2653	2.236	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.0423	0.287	10	109.0423	0.082	10	109.0423	0.082	10	108.2653	2.236	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(H){2|C<4>,3|H<1>}	105.9225	0.067	4	105.9225	0.004	4	105.9225	0.004	4	108.2653	2.236	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C-2:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(CN)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Si<4>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(CN){1|Si<4>,2|C<4>,2|H<1>}	91.0612	0.000	1	91.0612	0.000	1	91.0612	0.000	1	91.0612	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CCO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CCO){2|C<4>,3|H<1>}	107.7010	0.000	1	107.7010	0.000	1	107.7010	0.000	1	107.7010	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:Si-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Si<4>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3){1|C<2>,2|C<4>,2|H<1>}	110.2560	0.000	1	110.2560	0.000	1	110.2560	0.000	1	110.2560	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	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)	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])(C[6]N[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	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[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	108.5273	1.811	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:O-1:	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)	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[6]C[6]HO)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<4>}	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[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	108.5273	1.811	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){2|H<1>,3|C<4>}	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	108.5273	1.811	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:3:	3:4:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN){2|C<4>,3|H<1>}	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)	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[6]CC)(C[5]O[5]O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|H<1>,4|C<4>}	107.9830	0.000	1	107.9830	0.000	1	108.4676	0.336	12	108.2906	0.487	14	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH)	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[6]CH)(C[5]O[5]O){3|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]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|H<1>,4|C<4>}	108.5300	0.000	2	108.5300	0.000	2	108.4676	0.336	12	108.2906	0.487	14	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	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[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|H<1>,1|O<2>,4|C<4>}	108.7800	0.000	1	108.3740	0.330	2	108.4676	0.336	12	108.2906	0.487	14	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	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[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|H<1>,1|O<2>,4|C<4>}	107.9680	0.000	1	108.3740	0.330	2	108.4676	0.336	12	108.2906	0.487	14	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC)	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[6]HH)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.0730	0.000	1	109.0730	0.000	1	108.4676	0.336	12	108.2906	0.487	14	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH)	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[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	109.5820	0.000	1	109.5820	0.000	1	108.4676	0.336	12	108.2906	0.487	14	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH)	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[6]HH)(C[5]O[5]O){1|B<4>,1|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH){1|C<2>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,4|H<1>}	109.2170	0.000	1	109.2170	0.000	1	108.4676	0.336	12	108.2906	0.487	14	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	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[6]HH)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){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){2|C<4>,4|H<1>}	107.9870	0.062	4	107.9870	0.004	4	108.4676	0.336	12	108.2906	0.487	14	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-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]CC)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH)	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]CC)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|H<1>,4|C<4>}	107.2285	0.084	2	107.2285	0.007	2	107.2285	0.007	2	108.2906	0.487	14	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	3:4:4:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH)	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[6]C[5,6]CH)(C[5]C[5]H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){1|Si<4>,2|H<1>,3|C<4>}	108.9750	0.000	1	108.9750	0.000	1	108.9750	0.000	1	108.9750	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:3:	3:2:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[4,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:O[5]-2:C-3:	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C)	C[5,6](C[4,6]C[4,6]2H)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[4,6]C[4,6]2H)(C[5,6]C[5]C[6])(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH){1|O<1>,2|C<4>,2|H<1>}	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:3:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	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)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	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>}	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[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	111.9600	0.000	1	111.9600	0.000	1	111.9600	0.000	1	111.9600	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	109.0449	5.599	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,5])(O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,5])(O){1|H<1>,1|N<3>,4|C<4>}	108.0270	0.000	1	108.0270	0.000	1	108.5200	0.224	3	109.0449	5.599	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,5])(O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH){1|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,5])(O){1|N<3>,2|H<1>,3|C<4>}	108.7665	0.289	2	108.7665	0.084	2	108.5200	0.224	3	109.0449	5.599	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	109.0449	5.599	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	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[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|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>}	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	109.0449	5.599	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	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)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[6]C[6]HH)(C[5]O[5]O){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])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	108.7090	0.000	1	108.2127	0.233	3	108.3436	0.215	8	109.0449	5.599	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	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)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[6]C[6]HH)(C[5]O[5]O){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])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	107.9645	0.312	2	108.2127	0.233	3	108.3436	0.215	8	109.0449	5.599	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	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)(C[5,6]C[5]C[6])(C[5]O[5]HO)	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[6]C[6]HH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|O<1>,3|C<4>,5|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>}	108.0480	0.143	2	108.0480	0.020	2	108.3436	0.215	8	109.0449	5.599	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	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]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	108.6150	0.669	2	108.6150	0.447	2	108.3436	0.215	8	109.0449	5.599	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	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[6]C[6]HO)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,2|H<1>,2|O<2>}	108.7850	0.000	1	108.7850	0.000	1	108.3436	0.215	8	109.0449	5.599	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	Se[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](Se[5,5]C[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]Se[5,5])(O)	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](Se[5,5]C[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]Se[5,5])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	109.0449	5.599	15	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	3:4:3:	4:3:4:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	P[5]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](P[5]C[6a]C[5]W)(C[5,6]C[5]C[6])(C[6]C[6]HO)	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3)	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,1|W<6>,4|H<1>}	C[5,6](P[5]C[6a]C[5]W)(C[5,6]C[5]C[6])(C[6]C[6]HO){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3){1|C<3>,1|W<6>,2|C<4>,2|H<1>}	114.3400	0.000	1	114.3400	0.000	1	114.3400	0.000	1	114.3400	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:2:4:	3:4:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:O[6]-2:C[5]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O){2|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O){1|O<2>,2|H<1>,3|C<3>}	108.2080	0.000	1	108.2080	0.000	1	108.2080	0.000	1	108.2080	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:2:	3:3:1:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6])	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|H<1>,2|C<4>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	106.7755	1.698	2	106.7755	2.882	2	106.7755	2.882	2	107.0494	0.815	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:2:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.4810	0.000	1	107.4810	0.000	1	107.2275	0.129	2	107.0494	0.815	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:2:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|O<2>,5|C<3>}	106.9740	0.000	1	106.9740	0.000	1	107.2275	0.129	2	107.0494	0.815	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:2:	3:3:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-3:H-1:	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])	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(H)	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>}	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[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(H){1|C<3>,3|C<4>}	107.2410	0.000	1	107.2410	0.000	1	107.2410	0.000	1	107.0494	0.815	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:2:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:N[5]-3:O[6]-2:	C[5,6]-3:N[5]-3:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6])	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	103.9650	0.000	1	103.9650	0.000	1	103.9650	0.000	1	103.9650	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:2:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5]-4:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O[5]C[5])	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C){1|N<3>,1|O<2>,2|O<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O[5]C[5]){1|H<1>,1|O<2>,7|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH){6|C<3>}	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	109.0600	0.663	2	109.0600	0.440	2	109.3940	0.555	3	108.4508	0.735	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	110.0620	0.000	1	110.0620	0.000	1	109.3940	0.555	3	108.4508	0.735	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	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)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	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>}	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[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	107.5900	0.000	1	107.5900	0.000	1	107.5900	0.000	1	108.4508	0.735	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	107.5140	0.000	1	107.5140	0.000	1	107.9690	0.414	2	108.4508	0.735	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.4240	0.000	1	108.4240	0.000	1	107.9690	0.414	2	108.4508	0.735	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:N[6]-3:C[5]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	108.4508	0.735	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	N[6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	107.9585	0.035	2	107.9585	0.001	2	107.9585	0.001	2	108.4508	0.735	9	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:N[6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|N<3>,2|C<3>,3|H<1>}	107.4738	0.626	5	107.4738	0.391	5	107.4738	0.391	5	107.4965	0.316	6	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[5,6]-3:C[5]-3:	N[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){2|H<1>,5|C<3>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|N<3>,2|C<3>,3|H<1>}	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	107.4965	0.316	6	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C-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)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)	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>}	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[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN){2|C<2>,4|C<3>}	111.2220	0.438	3	111.2220	0.191	3	111.2220	0.191	3	111.2220	0.191	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:	3:4:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:O-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)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]C)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O)	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>}	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[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O){1|C<4>,2|H<1>,3|C<3>}	111.6060	0.095	2	111.6060	0.009	2	111.6060	0.009	2	110.3808	1.494	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:O-1:	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)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	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>}	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[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	110.3808	1.494	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:N[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,3|H<1>}	109.2530	0.619	2	109.2530	0.384	2	109.2530	0.384	2	110.3808	1.494	5	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:2:	3:4:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6])	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,3|H<1>}	108.8360	0.192	2	108.8360	0.037	2	108.8360	0.037	2	108.8360	0.037	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:3:	3:2:1:	C[4,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[4,6]C[4,6]2H)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C)	C[5](C[5,6]C[4,6]C[5,6])(O[5]C[5])(O)	C[5,6](C[4,6]C[4,6]2H)(C[5,6]C[5]C[6])(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[4,6]C[5,6])(O[5]C[5])(O){1|C<3>,1|H<1>,3|C<4>}	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.4758	0.308	6	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:3:	3:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6]-3:O[5]-2:O-1:	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)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5,5])(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){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	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[5](C[5,6]C[5,6]C[6,6])(O[5]C[5,5])(O){1|C<3>,1|O<2>,4|C<4>}	106.5270	0.000	1	106.5270	0.000	1	106.5270	0.000	1	107.4758	0.308	6	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:3:	3:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:O-1:	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)	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)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,4|C<4>,4|H<1>}	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[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O){1|C<3>,1|H<1>,4|C<4>}	107.6495	0.389	4	107.6495	0.151	4	107.6495	0.151	4	107.4758	0.308	6	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:3:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:3:	3:4:1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<3>,3|H<1>}	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:	3:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	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]O[5]HH)(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)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O){2|H<1>,4|C<4>}	106.1460	0.000	1	106.1460	0.000	1	107.4767	1.606	3	107.4767	1.606	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:	3:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(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]O[5]HH)(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]H)(C[5,6]C[5]C[6])(C[5]O[5]O){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O){3|C<4>,3|H<1>}	108.6690	0.000	1	108.1420	0.555	2	107.4767	1.606	3	107.4767	1.606	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:	3:2:1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(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]O[5]HH)(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]H)(C[5,6]C[5]C[6])(C[5]O[5]O){4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O){3|C<4>,3|H<1>}	107.6150	0.000	1	108.1420	0.555	2	107.4767	1.606	3	107.4767	1.606	3	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH)	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O){1|C<3>,1|H<1>,4|C<4>}	109.8050	0.000	1	109.8050	0.000	1	109.9520	0.043	2	109.9520	0.043	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:	3:3:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O){1|C<3>,1|H<1>,4|C<4>}	110.0990	0.000	1	110.0990	0.000	1	109.9520	0.043	2	109.9520	0.043	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	3:4:4:	3:4:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]CH)(O){1|C<3>,1|H<1>,4|C<4>}	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:3:	3:2:1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	107.6940	0.331	2	107.6940	0.110	2	107.6940	0.110	2	107.6940	0.110	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:3:	3:2:2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:O[5]-2:N-2:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(NC[6a])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]N){1|O<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]O[5]O){1|N<2>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(NC[6a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	108.4045	0.368	2	108.4045	0.136	2	108.4045	0.136	2	108.4045	0.136	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:3:	3:3:2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:O-2:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O){1|O<1>,2|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O){1|O<1>,2|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5]){1|C<4>,2|C<3>,2|O<2>}	108.0435	0.439	2	108.0435	0.193	2	108.0435	0.193	2	108.0435	0.193	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:3:	3:3:4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,5|C<3>}	110.1810	0.000	1	110.1810	0.000	1	110.1810	0.000	1	109.5515	0.793	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:3:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	109.5515	0.793	2	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5]	4:3:3:	4:3:4:	3:3:2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:N-2:	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(NC[6a])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N){1|I<1>,1|O<1>,2|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]IO){1|N<2>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(NC[6a]){1|C<4>,1|I<1>,2|C<3>,2|O<2>}	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	109.5800	8.042	418	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	3:2:3:	3:3:1:	3:2:3:	C[5,6]-3:S[6]-2:C[5]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6]-3:S[6]-2:C[5]-3:	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]S[6])(N[5]C[4]C[5])(O)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]S[6])(N[5]C[4]C[5])(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	108.5497	2.813	6	108.5497	7.911	6	108.5497	7.911	6	108.5497	7.911	6	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	3:3:2:	3:2:2:	3:4:3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:O[5]-2:N-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(NC[6])	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6]){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(NC[6]){1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O){1|C<3>,2|N<2>}	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	3:3:2:	3:3:2:	3:3:2:	C[5,6]-3:C[5]-3:C[6]-2:	C[5,6a]-3:C[5,6]-3:N-2:	C[5,6a]-3:C[5,6]-3:N[6]-2:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]N)(C[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(NN)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]N)(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(NN){1|H<1>,2|C<3>,2|N<2>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]){1|N<2>,3|C<3>}	105.8510	0.000	1	105.8510	0.000	1	105.8510	0.000	1	105.8510	0.000	1	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	3:3:2:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-3:P[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(P[6]C[6])	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH)	C[5,6](C[5,6]C[5]P[6])(P[5]C[5]CS)(C[6]C[6]C)	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>}	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH){1|C<4>,1|S<1>,2|C<3>}	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>}	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	3:3:3:	3:2:2:	3:4:2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-2:O-2:	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[5](C[5,6]C[5,6]C[6])(N[5]S[5])(OC[6a])	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[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>}	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>}	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	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[5]-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[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]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[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>}	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>}	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5]){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){4|C<3>,4|C<4>}	105.8210	0.000	1	105.8210	0.000	1	105.8210	0.000	1	107.1800	3.694	2	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:N[6]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]S[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]S[6]){1|H<1>,2|O<1>,5|C<3>}	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	107.1800	3.694	2	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[5]-3:	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[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[5,6a]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[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>}	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>}	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	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](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	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>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	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>}	109.9140	0.000	1	109.9140	0.000	1	109.9140	0.000	1	109.9140	0.000	1	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5a]-3:C[5,6]-3:P[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5](C[5a]C[5a,6]S[5a])(C[5,6]C[5,6]C[6])(P[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[5](C[5a]C[5a,6]S[5a])(C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	113.9975	0.547	2	113.9975	0.299	2	113.9975	0.299	2	113.9975	0.299	2	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){10|C<3>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2{1|H<1>,2|C<4>,8|C<3>}	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5,6]	C[5]	C[5,6]	4:3:3:	3:4:4:	3:2:2:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,5]-4:C-4:	C[5,6]-3:N[5]-2:S[6]-2:	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C)	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,5])(S[6]C[6])	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,5])(S[6]C[6]){1|O<2>,2|C<4>,4|C<3>}	106.7420	0.718	3	106.7420	0.515	3	106.7420	0.515	3	106.7420	0.515	3	108.9450	8.158	21	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[3x5]	C[5,6]	3:3:4:	4:4:3:	3:3:4:	C[3x5]-3:C[5,6]-3:Si-4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[3x5]C[3x5,6]C[5,5,6])(C[5,6]C[5,6]C[6])(SiC3)	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si)	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH)	C[5](C[3x5]C[3x5,6]C[5,5,6])(C[5,6]C[5,6]C[6])(SiC3){3|C<3>,3|C<4>,3|H<1>}	C[3x5](C[3x5,6]C[5,6,6a]C[5,6]2)(C[5,5,6]C[5,6,6a]C[5,6]H)(C[5]C[5,6]Si){1|C<4>,3|C<3>,4|C<2>}	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	104.2080	0.000	1	104.2080	0.000	1	104.2080	0.000	1	104.2080	0.000	1	104.2080	0.000	1	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:3:2:	3:2:4:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:Si-4:	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]Si)(H)	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(SiC3)	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]Si)(H){2|C<3>}	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5]){2|Si<4>,1|H<1>}	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(SiC3){1|Se<2>,1|C<3>}	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:3:3:	3:2:4:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5]-3:Se[5]-2:Si-4:	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(SiC3)	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H){1|Se<2>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(SiC3){1|Se<2>,1|C<3>}	117.6562	1.083	4	117.6562	1.173	4	117.7035	0.853	6	117.7035	0.853	6	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:3:3:	3:2:4:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5]-3:Se[5]-2:Si-4:	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(SiC3)	C[5](C[5,5]C[5,5]2)(C[5]Se[5]Si)(H){1|Se<2>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>}	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(SiC3){1|Se<2>,1|C<3>}	117.7980	0.849	2	117.7980	0.720	2	117.7035	0.853	6	117.7035	0.853	6	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]H)2(H){1|C<3>,1|C<4>}	106.1800	0.000	1	106.1800	0.000	1	106.3203	0.027	3	105.7390	1.370	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5](C[5]C[5,5]H)2(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|C<4>,5|H<1>}	C[5](C[5]C[5,5]H)2(H){1|C<3>,1|C<4>}	106.3905	0.155	2	106.3905	0.024	2	106.3203	0.027	3	105.7390	1.370	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,5]-3:C[5]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5,6]C[5,6])(C[5]N[5,6]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](N[5,6]N[5,5,6]In[5,6])(C[5]C[5,5]H)(H)	C[5](C[5,5]N[5,5,6]C[5,6])(C[5]N[5,6]H)(H){2|In<6>,1|C<3>,1|N<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>}	C[5](N[5,6]N[5,5,6]In[5,6])(C[5]C[5,5]H)(H){1|In<6>,2|Cl<1>,1|C<3>,1|O<2>,2|N<3>}	103.9950	0.000	1	103.9950	0.000	1	103.9950	0.000	1	105.7390	1.370	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5,5]2)(C[5]C[6a]N[5])(H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[5](C[5,5]C[5,5]2)(C[5]C[6a]N[5])(H){1|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]N[5])(C[5]C[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){3|C<3>,3|C<4>}	105.6305	0.136	2	105.6305	0.019	2	105.6305	0.019	2	105.6305	0.019	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:B-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N)	C[5](C[5]C[5,5]H)2(BC[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]N){1|B<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]H)2(BC[6a]2){1|C<3>,1|C<4>}	107.3630	0.000	1	107.3630	0.000	1	107.3630	0.000	1	107.3630	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:4:3:	3:2:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:Se[5]-2:Br-1:	C[5](C[5,5]C[5,5]C[5])(C[5]Se[5]Br)(H)	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(Br)	C[5](C[5,5]C[5,5]C[5])(C[5]Se[5]Br)(H){4|C<3>}	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H){1|Br<1>,6|C<3>}	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(Br){1|C<3>,1|C<4>}	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H){1|N<3>,4|H<1>}	C[5](C[5]C[5,5]H)2(H){1|C<3>,1|C<4>}	107.3480	0.242	2	107.3480	0.058	2	107.3480	0.058	2	107.3480	0.058	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:4:3:	3:3:3:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:B-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(BC[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]H)2(BC[6a]2){1|C<3>,1|C<4>}	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	108.0570	0.451	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:4:3:	3:3:3:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.0570	0.451	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:4:3:	4:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5,5]BH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]BH)(C[5]C[5,5]H)(H){1|C<3>,1|C<4>}	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	107.9772	0.296	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:4:3:	4:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O){1|C<3>,1|C<4>}	108.3840	0.000	2	108.3840	0.000	2	108.3840	0.000	2	107.9772	0.296	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	3:4:3:	4:3:1:	C[5,5]-3:C[5]-3:H-1:	N[3x5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]O)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(O)	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(C[5]C[5,5]H)(O){1|Br<1>,1|C<3>,2|C<4>}	107.9060	0.000	1	107.9060	0.000	1	107.9060	0.000	1	107.9772	0.296	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:2:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]S[5]H)(H)	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]C[5,5]H)(S[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5])(C[5]S[5]H)(H){1|N<3>,1|P<4>,2|H<1>}	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,1|W<6>,2|C<4>}	C[5](C[5]C[5,5]H)(S[5]C[5,5])(H){1|C<3>,1|H<1>,1|P<4>}	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:2:4:	C[5,5]-3:C[5]-3:Br-1:	C[5,5,6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Br)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C)	C[5](C[5]C[5,5]Br)(N[5]C[5,5,6])(CC3)	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Br){1|N<2>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C){1|Br<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]Br)(N[5]C[5,5,6])(CC3){1|C<3>,2|C<4>}	106.3050	0.000	1	106.3050	0.000	1	106.3050	0.000	1	106.3050	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	107.7810	1.301	2	107.8190	0.851	3	107.8190	0.851	3	107.4737	1.044	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	107.8950	0.000	1	107.8190	0.851	3	107.8190	0.851	3	107.4737	1.044	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(H)	C[5](C[5,5]C[5,5]2)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]H)2(H){1|C<3>,1|C<4>}	106.4380	0.000	1	106.4380	0.000	1	106.4380	0.000	1	107.4737	1.044	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:3:	C[5,5]-3:C[5]-3:H-1:	P[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:P-3:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(PC[6a]2)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|H<1>,1|P<3>,6|C<3>}	C[5](C[5]C[5,5]H)2(PC[6a]2){2|P<4>}	108.1340	0.025	2	108.1340	0.001	2	108.1340	0.001	2	108.1340	0.001	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5,5]-3:C[5]-3:H-1:	P[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(CC3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	107.8975	0.177	2	108.3297	0.170	12	108.3297	0.170	12	108.0204	0.447	16	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5,5]-3:C[5]-3:H-1:	P[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(CC3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|C<4>,1|H<1>,1|W<6>,6|C<3>}	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	108.4575	0.074	2	108.3297	0.170	12	108.3297	0.170	12	108.0204	0.447	16	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5,5]-3:C[5]-3:H-1:	P[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(CC3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|Cr<6>,1|C<4>,1|H<1>,6|C<3>}	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	108.1470	0.068	2	108.3297	0.170	12	108.3297	0.170	12	108.0204	0.447	16	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5,5]-3:C[5]-3:H-1:	P[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(CC3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|Fe<5>,1|C<4>,1|H<1>,6|C<3>}	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	108.2755	0.438	2	108.3297	0.170	12	108.3297	0.170	12	108.0204	0.447	16	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5,5]-3:C[5]-3:H-1:	P[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(CC3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|Mo<6>,1|C<4>,1|H<1>,6|C<3>}	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	108.1380	0.066	2	108.3297	0.170	12	108.3297	0.170	12	108.0204	0.447	16	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5,5]-3:C[5]-3:H-1:	P[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(CC3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|P<4>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){2|Co<4>,1|C<4>,1|H<1>,6|C<3>}	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	109.0625	0.088	2	108.3297	0.170	12	108.3297	0.170	12	108.0204	0.447	16	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5,5]-3:C[5]-3:H-1:	P[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(PC[6a]2Au)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|H<1>,1|P<4>,6|C<3>}	C[5](C[5]C[5,5]H)2(PC[6a]2Au){2|P<4>}	107.2355	0.398	2	107.2355	0.158	2	107.0925	0.080	4	108.0204	0.447	16	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5,5]-3:C[5]-3:H-1:	P[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H)	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H)	C[5](C[5]C[5,5]H)2(PC[6a]2S)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	C[5,5](P[5]C[6a]2P[5])(C[5,5]C[5]P[5])(C[5]C[5]H){1|H<1>,1|P<4>,6|C<3>}	C[5](C[5]C[5,5]H)2(PC[6a]2S){2|P<4>}	106.9495	0.019	2	106.9495	0.000	2	107.0925	0.080	4	108.0204	0.447	16	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(O){1|O<2>,4|C<3>}	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:4:3:	3:2:4:	C[5,5]-3:C[5]-3:Cl-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl)	C[5](C[5]C[5,5]Cl)(N[5]C[5,5,6])(CC3)	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl){2|H<1>,3|C<4>}	C[5](C[5]C[5,5]Cl)(N[5]C[5,5,6])(CC3){1|C<3>,2|C<4>}	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]H){1|O<1>,1|O<2>,1|S<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]C)(C[5]C[5,5]H)(O){3|C<4>}	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	109.1625	0.003	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(O){1|H<1>,2|C<4>}	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.1625	0.003	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,5]-3:C[5]-3:Cl-1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl)	C[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]Cl)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]Cl)(O)	C[5](C[5,5]C[5,5]2)(C[5]C[5]O)(Cl){1|H<1>,6|C<4>}	C[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]Cl){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]Cl)(O){1|H<1>,2|C<4>}	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	109.4113	1.084	6	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,5]-3:C[5]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]O)(H)	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[3x5]C[5])(C[5]C[5]O)(H){3|C<4>,4|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]H)(O){3|C<4>}	109.1965	0.005	2	109.1965	0.000	2	109.1965	0.000	2	109.4113	1.084	6	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H){1|H<1>,6|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H){1|O<1>,3|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(O){3|C<4>}	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	109.4113	1.084	6	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(O){1|H<1>,2|C<4>}	108.4710	0.000	1	108.4710	0.000	1	109.0155	0.593	2	109.4113	1.084	6	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O){1|H<1>,2|C<4>}	109.5600	0.000	1	109.5600	0.000	1	109.0155	0.593	2	109.4113	1.084	6	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:2:	4:3:3:	3:2:3:	C[5,5]-3:C[5]-3:C-2:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:N-3:	C[5](C[5,5]C[5,5]C[5])(C[5]O[5]N)(CN)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(NHH)	C[5](C[5,5]C[5,5]C[5])(C[5]O[5]N)(CN){2|C<3>,2|C<4>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|H<1>,1|N<3>,6|C<3>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(NHH){1|C<4>,2|C<3>}	105.9180	0.033	2	105.9180	0.001	2	105.9180	0.001	2	105.9180	0.001	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:2:	4:3:3:	4:3:1:	C[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(OC)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(OC){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(O){1|O<2>,4|C<3>}	109.1850	0.000	2	109.1850	0.000	2	109.1850	0.000	2	109.1850	0.000	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O){4|C<3>}	104.2025	0.815	2	104.2025	0.665	2	104.2025	0.665	2	104.2025	0.665	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5,5]-3:N[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(N[5]C[5]H)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]C)(O)	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(N[5]C[5]H){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]C)(O){1|C<4>,1|N<3>,2|C<3>}	104.9380	0.000	1	104.9380	0.000	1	104.9380	0.000	1	104.9380	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]Se[5]2)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2){1|Se<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(Se[5]C[5,5]){1|Se<2>,2|H<1>,5|C<3>}	113.7750	0.000	1	113.7750	0.000	1	113.7750	0.000	1	113.6210	0.047	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]Se[5]2)	C[5](C[5]C[5,5]C[5a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5]){1|Se<2>,1|H<1>,1|N<3>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[5a])(C[6a]C[6a]2)(Se[5]C[5,5]){1|Se<2>,2|H<1>,5|C<3>}	113.4670	0.000	1	113.4670	0.000	1	113.4670	0.000	1	113.6210	0.047	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O){4|C<3>}	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	3:3:4:	4:3:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(O){1|C<4>,7|C<3>}	106.1805	0.012	2	106.1805	0.000	2	106.1805	0.000	2	106.1805	0.000	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,3|C<3>}	106.3640	0.580	2	106.3640	0.336	2	106.3640	0.336	2	106.3640	0.336	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5](C[5]C[5,5]C[6a])2(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])2(H){1|C<4>,6|C<3>}	107.6500	0.088	2	107.6500	0.008	2	107.6500	0.008	2	107.6500	0.008	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[5]-4:	C[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	107.2220	0.000	1	107.2220	0.000	1	107.2220	0.000	1	107.2220	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,9|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	107.8875	0.207	2	107.8875	0.043	2	107.8875	0.043	2	107.7202	0.056	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O){8|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	107.6370	0.000	1	107.6370	0.000	1	107.5530	0.014	2	107.7202	0.056	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{1|O<1>,9|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	107.4690	0.000	1	107.4690	0.000	1	107.5530	0.014	2	107.7202	0.056	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	4:3:4:	3:2:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O){1|H<1>,2|C<3>,2|C<4>}	105.9420	0.000	1	105.9420	0.000	1	105.9420	0.000	1	105.9420	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H)	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O){2|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(O){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	107.9875	0.205	4	107.9875	0.042	4	107.9875	0.042	4	107.7712	0.266	5	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:3:	4:3:4:	3:4:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	107.7712	0.266	5	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5,5]C)(N[5]C[5,5])(CC[5a]H)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(N[5]C[5,5])(CC[5a]H){2|C<3>}	104.1960	0.000	1	104.1960	0.000	1	104.1960	0.000	1	104.1960	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	3:4:3:	3:2:1:	C[5,5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O){1|C<3>,1|C<4>,1|H<1>}	106.1830	0.000	1	106.1830	0.000	1	106.1830	0.000	1	106.1830	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	3:4:3:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(O){1|C<3>,1|H<1>,1|N<3>}	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:3:2:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:N[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5]){2|C<3>,7|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){1|C<3>,1|C<4>,1|N<2>}	107.1710	0.000	1	107.1710	0.000	1	107.1710	0.000	1	107.1710	0.000	1	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:P[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a])(C[5]C[5]C)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a])(C[5]C[5]C){3|C<4>,4|C<3>}	C[5](C[5]C[5,5]C)2(CH3){1|P<3>,2|C<4>}	109.0365	0.050	2	109.0365	0.003	2	108.9913	0.004	4	108.9913	0.004	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:P[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,2|C<4>}	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C){5|C<4>}	C[5](C[5]C[5,5]C)2(CH3){1|Si<4>,1|C<4>,1|P<3>}	108.9460	0.000	2	108.9460	0.000	2	108.9913	0.004	4	108.9913	0.004	4	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:3:3:	4:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5]-4:C[5,5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3)	C[5,5](C[5]C[5]SnC)(C[5,5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5,5]SnC)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3){2|Sn<4>,2|C<3>,2|C<4>}	C[5,5](C[5]C[5]SnC)(C[5,5]C[5]2)(C[5]C[5]C){1|Sn<4>,4|C<4>}	C[5](C[5]C[5,5]SnC)(C[5]C[5,5]C)(CH3){1|C<3>,1|C<4>}	107.6803	0.158	3	107.6803	0.025	3	107.6803	0.025	3	107.6803	0.025	3	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:4:3:	3:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C)	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]C)(O){1|H<1>,2|O<2>,3|C<4>}	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	107.0660	0.033	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:4:3:	3:3:1:	C[5,5]-3:C[5]-3:Si-4:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5,6]-3:C[5]-3:O-1:	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si)	C[5](C[5,6]C[3x5,6]C[6])(C[5]C[5,5]Si)(O)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[3x5,6]C[6])(C[5]C[5,5]Si)(O){5|C<4>}	107.1950	0.000	1	107.1950	0.000	1	107.1950	0.000	1	107.0660	0.033	2	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:4:3:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:P[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]S)(C[5]C[5]C)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|S<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]S)(C[5]C[5]C){3|C<4>,4|C<3>}	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	108.1260	0.247	2	108.1260	0.061	2	108.1942	0.191	8	108.5506	0.713	10	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:4:3:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:P[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Se)(C[5]C[5]C)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Se)(C[5]C[5]C){3|C<4>,4|C<3>}	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	108.4850	0.540	2	108.4850	0.292	2	108.1942	0.191	8	108.5506	0.713	10	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:4:3:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:P[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Ta)(C[5]C[5]C)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Ta)(C[5]C[5]C){3|C<4>,4|C<3>}	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	108.0830	0.503	4	108.0830	0.253	4	108.1942	0.191	8	108.5506	0.713	10	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:4:3:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:Si[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C)	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3){1|As<3>,1|N<3>,4|C<4>}	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C){1|Cl<1>,3|C<4>}	C[5](C[5]C[5,5]C)2(CH3){1|As<3>,1|Si<4>,1|C<4>}	109.9760	0.000	2	109.9760	0.000	2	109.9760	0.000	2	108.5506	0.713	10	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3){1|N<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C){1|O<1>,1|S<4>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(O){1|C<3>,2|H<1>,3|C<4>}	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	107.0322	0.938	5	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]C)(O){3|C<4>}	107.6400	0.000	1	107.6400	0.000	1	107.6400	0.000	1	107.0322	0.938	5	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O){1|H<1>,2|C<4>}	105.5570	0.000	1	105.5570	0.000	1	105.5570	0.000	1	107.0322	0.938	5	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH)	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH){3|H<1>,4|C<4>}	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O){1|H<1>,2|C<4>}	107.9560	0.000	1	107.9560	0.000	1	107.9560	0.000	1	107.0322	0.938	5	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,5]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,5]-3:C[5]-3:Si-4:	C[3x5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]Si)(O)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3){2|H<1>,5|C<4>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(C[5]C[5]Si){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]Si)(O){1|C<3>,1|H<1>,4|C<4>}	106.5860	0.000	1	106.5860	0.000	1	106.5860	0.000	1	107.0322	0.938	5	108.4098	7.862	112	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5,6,6]	3:3:3:	3:3:4:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6])2(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[5](C[5,6,6]C[5,6,6]C[3x6])2(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,5|H<1>}	105.1520	0.000	1	105.1520	0.000	1	105.1520	0.000	1	105.1520	0.000	1	105.0680	0.014	2	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5,6,6]	3:3:4:	3:4:3:	3:4:3:	C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6])2(CC3)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C)	C[5](C[5,6,6]C[5,6,6]C[3x6])2(CC3){2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C){4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C){4|C<4>,5|H<1>}	104.9840	0.000	1	104.9840	0.000	1	104.9840	0.000	1	104.9840	0.000	1	105.0680	0.014	2	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:1:	4:2:3:	3:2:3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:N[6,6]-2:C[5]-3:	C[5]-3:S[5]-2:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6])(C[5]C[5]H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,4|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6])(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	114.4465	0.457	2	114.4465	0.209	2	114.4465	0.209	2	114.4465	0.209	2	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:1:	4:3:3:	3:2:3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5]-3:S[5]-2:C[6a]-3:	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)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	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>}	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[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){2|H<1>,5|C<3>}	115.5891	0.336	8	115.5891	0.113	8	115.5891	0.113	8	114.4051	2.168	14	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:1:	4:3:3:	3:2:3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[5]-3:S[5]-2:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]B)(C[5]C[5]H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|B<4>,1|C<4>,4|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]B)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	113.3920	0.000	1	113.3920	0.000	1	112.8263	0.246	6	114.4051	2.168	14	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:1:	4:3:3:	3:2:3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[5]-3:S[5]-2:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]H)(C[5]C[5]H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]H)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	112.2550	0.000	1	112.2550	0.000	1	112.8263	0.246	6	114.4051	2.168	14	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:1:	4:3:3:	3:2:3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[5]-3:S[5]-2:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	113.0795	0.565	2	112.8278	0.194	4	112.8263	0.246	6	114.4051	2.168	14	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:1:	4:3:3:	3:2:3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	C[5]-3:S[5]-2:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	112.5760	0.096	2	112.8278	0.194	4	112.8263	0.246	6	114.4051	2.168	14	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:1:	4:3:3:	3:3:3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	Se[5]-3:C[5]-3:C[6a]-3:	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)	C[5](Se[5]C[5,3x6]O)(C[5]C[5,6,6]H)(C[6a]C[6a]2)	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>}	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[5](Se[5]C[5,3x6]O)(C[5]C[5,6,6]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	118.7830	0.000	1	118.7830	0.000	1	118.9195	0.037	2	118.9195	0.037	2	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:1:	4:3:3:	3:3:3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	Se[5]-3:C[5]-3:C[6a]-3:	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)	C[5](Se[5]C[5,3x6]O)(C[5]C[5,6,6]H)(C[6a]C[6a]2)	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>}	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[5](Se[5]C[5,3x6]O)(C[5]C[5,6,6]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.0560	0.000	1	119.0560	0.000	1	118.9195	0.037	2	118.9195	0.037	2	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:1:	4:4:3:	3:2:1:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6,6]C[5,6,6]2)(C[5]O[5]O)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6]O[5])(C[5]C[5]H)	C[5](C[5]C[5,6,6]H)(O[5]C[5,6,6])(O)	C[5](C[5,6,6]C[5,6,6]2)(C[5]O[5]O)(H){1|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6]O[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6,6]H)(O[5]C[5,6,6])(O){3|C<4>}	107.7755	0.197	2	107.7755	0.039	2	107.7755	0.039	2	107.7755	0.039	2	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]O)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]H)(O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]H)(O){1|C<4>,2|C<3>}	110.0820	0.205	2	110.0820	0.042	2	110.0820	0.042	2	110.0820	0.042	2	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:3:	4:2:3:	3:2:1:	C[5,6,6]-3:C[5]-3:C-3:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]O[5]O)(CCO)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C)	C[5](C[5]C[5,6,6]C)(O[5]C[5,3x6])(O)	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]O[5]O)(CCO){3|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]C)(O[5]C[5,3x6])(O){1|O<2>,2|C<4>}	105.1670	0.000	1	105.1670	0.000	1	105.1670	0.000	1	105.1670	0.000	1	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:3:	4:3:3:	3:2:3:	C[5,6,6]-3:C[5]-3:C-3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5]-3:S[5]-2:C-3:	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)	C[5](C[5]C[5,6,6]C)(S[5]C[5,3x6])(COO)	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>}	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[5](C[5]C[5,6,6]C)(S[5]C[5,3x6])(COO){3|C<3>}	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	115.2925	3.073	2	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:3:	4:3:3:	3:2:3:	C[5,6,6]-3:C[5]-3:C-3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5]-3:Se[5]-2:C-3:	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)	C[5](C[5]C[5,6,6]C)(Se[5]C[5,3x6])(COO)	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>}	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[5](C[5]C[5,6,6]C)(Se[5]C[5,3x6])(COO){3|C<3>}	116.5320	0.000	1	116.5320	0.000	1	116.5320	0.000	1	115.2925	3.073	2	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:4:	4:4:3:	2:3:1:	C[5,6,6]-3:C[5]-3:C-4:	C[4,5,6,6]-4:C[4,6,6]-4:C[5]-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6,6]C[4,5,6,6]C[4,6,6])(C[5]O[5]O)(CH3)	C[5,6,6](C[4,5,6,6]C[4,5,6,6]C[4,6,6]O[5])(C[4,6,6]C[4,6,6]2H)(C[5]C[5]C)	C[5](O[5]C[4,5,6,6])(C[5]C[5,6,6]C)(O)	C[5](C[5,6,6]C[4,5,6,6]C[4,6,6])(C[5]O[5]O)(CH3){1|H<1>,4|C<4>}	C[5,6,6](C[4,5,6,6]C[4,5,6,6]C[4,6,6]O[5])(C[4,6,6]C[4,6,6]2H)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](O[5]C[4,5,6,6])(C[5]C[5,6,6]C)(O){3|C<4>}	107.1060	0.000	1	107.1060	0.000	1	107.1060	0.000	1	107.1060	0.000	1	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:3:4:	4:4:3:	3:3:1:	C[5,6,6]-3:C[5]-3:C-4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH)	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6,6]C)(N[5]C[5,3x6]C)(O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6,6]C)(N[5]C[5,3x6]C)(O){1|C<4>,2|C<3>}	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6,6]	C[5]	3:4:3:	4:2:3:	3:2:1:	C[5,6,6]-3:C[5]-4:C[5]-3:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2)	C[5](C[5]C[5,6,6]C[5])(O[5]C[5,3x6])(O)	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O){5|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2){1|C<3>,1|O<1>,2|S<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]C[5])(O[5]C[5,3x6])(O){1|O<2>,2|S<2>,3|C<4>}	104.8810	0.000	1	104.8810	0.000	1	104.8810	0.000	1	104.8810	0.000	1	112.8530	14.880	28	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(H){2|C<3>,2|H<1>,2|N<3>}	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[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>}	107.5790	0.000	1	107.8783	0.183	4	107.8783	0.183	4	106.2617	1.275	14	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(H){2|C<3>,2|H<1>,2|N<3>}	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[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>}	107.9470	0.652	2	107.8783	0.183	4	107.8783	0.183	4	106.2617	1.275	14	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(H){2|C<3>,2|H<1>,2|N<3>}	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[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>}	108.0400	0.000	1	107.8783	0.183	4	107.8783	0.183	4	106.2617	1.275	14	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	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[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>}	105.2950	0.000	1	105.6151	0.154	10	105.6151	0.154	10	106.2617	1.275	14	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	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[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>}	105.9207	0.410	4	105.6151	0.154	10	105.6151	0.154	10	106.2617	1.275	14	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	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[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>}	105.2865	0.278	2	105.6151	0.154	10	105.6151	0.154	10	106.2617	1.275	14	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	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[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>}	105.5250	0.304	2	105.6151	0.154	10	105.6151	0.154	10	106.2617	1.275	14	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	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[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>}	105.5500	0.000	1	105.6151	0.154	10	105.6151	0.154	10	106.2617	1.275	14	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:B[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]B[5])(C[6]C[6]H)	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>}	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[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>}	105.2800	0.000	1	105.2800	0.000	1	105.2800	0.000	1	106.4054	0.514	7	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(COO){2|C<3>,2|H<1>,2|N<3>}	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[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>}	107.2670	0.000	1	106.9863	0.084	3	106.5716	0.398	5	106.4054	0.514	7	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(COO){2|C<3>,2|H<1>,2|N<3>}	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[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>}	106.8460	0.223	2	106.9863	0.084	3	106.5716	0.398	5	106.4054	0.514	7	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CSS){2|C<3>,2|H<1>,2|N<3>}	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[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>}	105.6890	0.000	1	105.9495	0.136	2	106.5716	0.398	5	106.4054	0.514	7	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CSS){2|C<3>,2|H<1>,2|N<3>}	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[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>}	106.2100	0.000	1	105.9495	0.136	2	106.5716	0.398	5	106.4054	0.514	7	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C[5])(C[6]C[6]H)	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>}	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[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>}	106.7000	0.000	1	106.7000	0.000	1	106.7000	0.000	1	106.4054	0.514	7	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|C<3>,2|H<1>,2|N<3>}	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[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>}	106.7597	0.088	3	106.9225	0.046	6	107.0748	0.109	9	107.0680	0.097	10	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|C<3>,2|H<1>,2|N<3>}	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[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>}	107.0853	0.170	3	106.9225	0.046	6	107.0748	0.109	9	107.0680	0.097	10	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CRhOO){2|C<3>,2|H<1>,2|N<3>}	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[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>}	107.7570	0.000	1	107.3793	0.110	3	107.0748	0.109	9	107.0680	0.097	10	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	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)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CRhOO){2|C<3>,2|H<1>,2|N<3>}	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[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>}	107.1905	0.071	2	107.3793	0.110	3	107.0748	0.109	9	107.0680	0.097	10	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5,6]	3:3:4:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-3:	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)	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](C[5,6]C[5,6]C[6])2(CCHH){2|O<1>,4|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>}	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>}	107.0070	0.000	1	107.0070	0.000	1	107.0070	0.000	1	107.0680	0.097	10	106.5543	0.817	31	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:2:3:	3:2:4:	C[5,6]-3:C[5]-3:H-1:	N[5,6]-3:N[6]-2:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5](C[5,6]N[5,6]N[6])(C[5]O[5]C)(H)	C[5,6](N[5,6]C[5,6]O[5])(N[6]C[6,6])(C[5]C[5]H)	C[5](C[5]C[5,6]H)(O[5]N[5,6])(CC3)	C[5](C[5,6]N[5,6]N[6])(C[5]O[5]C)(H){2|C<4>}	C[5,6](N[5,6]C[5,6]O[5])(N[6]C[6,6])(C[5]C[5]H){1|H<1>,5|C<4>}	C[5](C[5]C[5,6]H)(O[5]N[5,6])(CC3){1|C<4>,1|N<2>}	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:3:2:	3:3:2:	C[5,6]-3:C[5]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-2:	N[5]-3:C[5]-3:O-2:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]O)(C[6]C[6])	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]O)(OC)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O){1|C<2>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]O)(C[6]C[6]){1|Br<1>,1|C<2>,1|C<3>,1|O<2>}	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]O)(OC){2|C<2>,2|N<2>}	106.2070	0.000	1	106.2070	0.000	1	106.2070	0.000	1	106.2070	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:3:2:	3:3:4:	C[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:N[6]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5,6]N[5,6]N[6])(C[5]N[5]C)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]H)(N[6]C[6])	C[5](N[5]N[5,6]Pd)(C[5]C[5,6]H)(CC3)	C[5](C[5,6]N[5,6]N[6])(C[5]N[5]C)(H){1|Pd<4>,2|C<3>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]H)(N[6]C[6]){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]N[5,6]Pd)(C[5]C[5,6]H)(CC3){1|C<3>,1|N<2>}	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]N[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5])(N[6]C[6a]C[6])(C[5]C[5]H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]N[6])(C[5]O[5]O)(H){1|C<4>,2|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>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|C<3>,1|N<3>}	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	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)	C[5](C[5]C[5,6]H)2(H)	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>}	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[5](C[5]C[5,6]H)2(H){1|C<3>,1|C<4>}	107.2150	0.000	1	107.2150	0.000	1	107.2150	0.000	1	106.5472	1.531	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5,6]C[6,6a]N[5,6])(C[5]N[5]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]H)	C[5](C[5]C[5,6]H)(N[5]N[5,6]H)(H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]H){4|C<3>,4|H<1>}	C[5](C[5]C[5,6]H)(N[5]N[5,6]H)(H){1|C<3>,1|C<4>}	105.0860	0.000	1	105.0860	0.000	1	105.0860	0.000	1	106.5472	1.531	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:H-1:	C[6]-3:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	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)	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(H)	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>}	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[5](C[5]C[5,6]H)(C[5]N[5,6]O)(H){1|B<4>,1|C<3>}	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	106.5472	1.531	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[6]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	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)	C[5](N[5]N[5,6]Rh)(C[5]C[5,6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]N[5]H)(H){1|Rh<8>,3|C<3>}	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[5](N[5]N[5,6]Rh)(C[5]C[5,6]H)(H){2|C<3>}	105.3330	0.000	1	105.3330	0.000	1	105.3330	0.000	1	106.5472	1.531	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:O-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]N[5,6]N)(H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O){1|N<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]C[5]O){1|N<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]O)(C[5]N[5,6]N)(H){2|C<3>}	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	106.5472	1.531	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6]C[5a,6]N[5,6])(C[5]C[5]C)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H)	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(CSiH)	C[5](C[5,6]C[5a,6]N[5,6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(CSiH){1|C<3>,1|C<4>}	108.6365	0.457	2	108.6365	0.209	2	108.6365	0.209	2	108.6365	0.209	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	B[5,6,6]-4:C[5]-3:Si-4:	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)	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(SiC3)	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>}	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[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(SiC3){2|C<3>,2|H<1>,4|C<4>}	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	3:2:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	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>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	108.0560	0.000	1	108.1230	0.009	2	108.1230	0.009	2	108.1230	0.009	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	3:2:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	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>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	108.1900	0.000	1	108.1230	0.009	2	108.1230	0.009	2	108.1230	0.009	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5,6]-3:C[5]-3:O-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(N[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]O)(N[5]C[5,6]H)(O){1|C<3>,1|C<4>}	104.9200	0.000	1	104.9200	0.000	1	104.9200	0.000	1	105.2627	0.140	4	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5,6]-3:C[5]-3:O-1:	C[6,6a]-3:N[5,6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O){2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(H){1|C<3>,2|C<4>}	105.2155	0.329	2	105.2155	0.108	2	105.3770	0.132	3	105.2627	0.140	4	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5,6]-3:C[5]-3:O-1:	C[6,6a]-3:N[5,6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(C[5]N[5,6]H)(H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[5]C[5,6]O)(C[5]N[5,6]H)(H){1|C<3>,2|C<4>}	105.7000	0.000	1	105.7000	0.000	1	105.3770	0.132	3	105.2627	0.140	4	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	3:3:2:	C[5,6]-3:C[5]-3:Br-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(Br)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br)	C[5](C[5]C[5,6]Br)(C[6a]C[6a]2)(Se[5]C[5,6])	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(Br){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]Br)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	118.5180	0.352	2	118.5180	0.124	2	118.5180	0.124	2	118.1367	0.498	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	3:3:2:	C[5,6]-3:C[5]-3:I-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(I)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I)	C[5](C[5]C[5,6]I)(C[6a]C[6a]2)(Se[5]C[5,6])	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(I){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]I)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	118.1367	0.498	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	3:3:3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CCC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CCC){2|C<4>}	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	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[6]C[5,6]CH)(C[5]C[5]H)	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){1|Si<4>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]H)(H){2|C<4>}	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	109.6732	0.045	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]N[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,1|N<3>,4|H<1>}	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>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|C<3>,1|C<4>}	109.8550	0.151	2	109.8550	0.023	2	109.8550	0.023	2	109.6732	0.045	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5,6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]O)(H)	C[5,6](N[5,6]C[5,3x6]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]O)(H){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,3x6]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|C<4>,1|H<1>,1|N<3>}	109.7300	0.000	1	109.7300	0.000	1	109.7300	0.000	1	109.6732	0.045	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	3:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	N[6,6]-3:C[5,6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]N[6,6])(C[5]C[5]O)(H)	C[5,6](N[6,6]C[3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]N[6,6])(C[5]C[5]O)(H){3|C<4>,3|H<1>}	C[5,6](N[6,6]C[3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|C<4>,1|H<1>,1|N<3>}	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.6732	0.045	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	2:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	O[5]-2:C[5]-3:O-1:	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)	C[5](O[5]C[5,5,6])(C[5]C[5,6]H)(O)	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>}	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[5](O[5]C[5,5,6])(C[5]C[5,6]H)(O){1|C<3>,2|C<4>}	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	108.6060	0.000	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	2:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	O[5]-2:C[5]-3:O-1:	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)	C[5](O[5]C[5,6,6])(C[5]C[5,6]H)(O)	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>}	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[5](O[5]C[5,6,6])(C[5]C[5,6]H)(O){1|C<3>,2|C<4>}	108.6130	0.000	1	108.6130	0.000	1	108.6130	0.000	1	108.6060	0.000	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	3:2:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:O[5]-2:O-1:	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)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	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>}	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[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|C<3>,2|C<4>}	108.6737	0.131	3	108.6737	0.017	3	108.6737	0.017	3	108.6803	0.012	4	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	3:2:1:	C[5,6]-3:C[5]-3:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(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](C[5]C[5,6]H)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(H){1|C<3>,3|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>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.6803	0.012	4	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	3:2:4:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](C[5,6]C[5,6]2)(C[5]S[5]C)(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3)	C[5](C[5,6]C[5,6]2)(C[5]S[5]C)(H){1|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|C<3>,1|S<2>,2|F<1>,4|C<4>}	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3){1|C<3>,2|C<4>}	114.3690	0.344	2	114.3690	0.118	2	114.3690	0.118	2	114.3690	0.118	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5,6]-3:C[5]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]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](C[5]C[5,6]H)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	C[5](C[5]C[5,6]H)2(H){1|C<3>,1|C<4>}	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	106.1680	3.297	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5,6]-3:C[5]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	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)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O){2|N<3>,3|C<3>}	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[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(O){1|N<3>,4|C<3>}	105.1200	0.062	2	105.1200	0.004	2	105.1200	0.004	2	106.1680	3.297	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	3:3:2:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(S[5]C[5,6])	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H){3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(S[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	114.6250	0.116	2	114.6250	0.013	2	114.6250	0.013	2	114.3270	0.158	6	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	3:3:2:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)(S[5]C[5,6])	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H){3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)(S[5]C[5,6]){1|H<1>,2|C<4>,4|C<3>}	114.1780	0.413	4	114.1780	0.170	4	114.1780	0.170	4	114.3270	0.158	6	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5,6]-3:C[5]-3:O-1:	C[3x5,6]-4:C[5]-3:C[6]-3:	C[5,5]-3:C[5]-3:Si-4:	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)	C[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3)	C[5](C[5,6]C[3x5,6]C[6])(C[5]C[5,5]Si)(O){5|C<4>}	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[5](C[5,5]C[3x5,6]C[5])(C[5]C[5,6]O)(SiC3){1|C<3>,2|H<1>,3|C<4>}	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5]-3:O-1:	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)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(O)	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>}	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[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(O){2|C<3>,3|C<4>}	110.5040	0.000	1	110.5040	0.000	1	110.5040	0.000	1	110.3725	0.035	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	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)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){3|C<4>,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){2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	110.3725	0.035	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:C[6a]-3:	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)	C[5](C[5]C[5,6]RuP)(C[5]C[5,6]H)(C[6a]C[6a]2)	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>}	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[5](C[5]C[5,6]RuP)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	110.6360	0.000	1	110.3275	0.190	2	110.3275	0.190	2	108.4632	3.030	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:C[6a]-3:	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)	C[5](C[5]C[5,6]RuP)(C[5]C[5,6]H)(C[6a]C[6a]2)	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>}	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[5](C[5]C[5,6]RuP)(C[5]C[5,6]H)(C[6a]C[6a]2){3|C<3>,3|C<4>}	110.0190	0.000	1	110.3275	0.190	2	110.3275	0.190	2	108.4632	3.030	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[5]-3:O-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH)	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH){1|H<1>,1|O<2>,3|C<4>}	106.8030	0.000	1	107.2190	0.346	2	107.2190	0.346	2	108.4632	3.030	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[5]-3:O-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH)	C[5](C[5,6]C[5,6]2)(C[5]C[5]C)(O){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH){1|H<1>,1|O<2>,3|C<4>}	107.6350	0.000	1	107.2190	0.346	2	107.2190	0.346	2	108.4632	3.030	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5,6]-3:C[5]-3:O-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	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)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	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>}	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[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|C<3>,1|H<1>,1|O<2>}	107.2230	0.000	1	107.2230	0.000	1	107.2230	0.000	1	108.4632	3.030	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	2:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	O[5]-2:C[5]-3:O-1:	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[6]C[6]HH)(C[5]C[5]H)	C[5](O[5]C[5,6,6])(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	C[5](O[5]C[5,6,6])(C[5]C[5,6]H)(O){3|C<4>}	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	108.6608	0.485	8	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){3|C<4>}	108.7860	0.000	1	108.7860	0.000	1	109.0484	0.046	5	108.6608	0.485	8	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|N<3>,2|C<4>}	109.2920	0.000	1	109.2920	0.000	1	109.0484	0.046	5	108.6608	0.485	8	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	108.9640	0.083	2	108.9640	0.007	2	109.0484	0.046	5	108.6608	0.485	8	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	109.2360	0.000	1	109.2360	0.000	1	109.0484	0.046	5	108.6608	0.485	8	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[5](C[5]C[5,6]H)(N[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H){5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H){3|C<4>,6|H<1>}	C[5](C[5]C[5,6]H)(N[5]C[5,6])(H){3|C<4>}	107.5675	0.077	2	107.5675	0.006	2	107.5675	0.006	2	108.6608	0.485	8	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	109.1583	0.109	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5]O)(H)	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H)	C[5](N[5]C[5,6,6]C)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](N[5]C[5,6,6]C)(C[5]C[5,6]H)(O){1|C<3>,2|C<4>}	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	109.1583	0.109	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H)	C[5](C[5]C[5,6]H)2(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]H)(H){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5]C[5,6]H)2(H){1|H<1>,2|C<4>}	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.1583	0.109	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:Cl-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]Cl)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(Cl){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]Cl)(O){2|C<3>,2|C<4>,2|H<1>}	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-3:	C[3,5]-4:C[5]-3:O-1:	C[5](C[5,6]C[3,5,6]C[6,6])(C[5]C[3,5]O)(H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[3,5,6]C[6,6])(C[5]C[3,5]O)(H){1|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]H)(O){1|C<3>,3|C<4>}	110.4750	0.000	1	110.4750	0.000	1	110.4750	0.000	1	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	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[5,5]C[5]C[6])(C[6]C[6]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	110.0015	0.176	2	110.0015	0.031	2	110.0015	0.031	2	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	109.9900	0.000	1	109.9900	0.000	1	110.0390	0.005	2	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	110.0880	0.000	1	110.0880	0.000	1	110.0390	0.005	2	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O){1|C<3>,2|C<4>}	109.9820	0.000	1	110.7730	1.251	2	110.7170	0.455	8	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O){3|C<4>}	111.5640	0.000	1	110.7730	1.251	2	110.7170	0.455	8	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(O){3|C<4>}	111.3830	0.564	2	111.3830	0.318	2	110.7170	0.455	8	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O){3|C<4>}	110.5480	0.000	1	110.5480	0.000	1	110.7170	0.455	8	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|H<1>,2|C<4>}	110.1385	0.115	2	110.2920	0.077	3	110.7170	0.455	8	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|H<1>,2|C<4>}	110.5990	0.000	1	110.2920	0.077	3	110.7170	0.455	8	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]H)(O){2|C<3>,3|C<4>}	110.3425	0.121	2	110.3425	0.015	2	110.1672	0.046	4	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]O)(H){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(O){1|H<1>,2|C<4>}	109.9920	0.000	2	109.9920	0.000	2	110.1672	0.046	4	110.4881	0.403	18	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:1:	4:4:3:	4:3:3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	P[5]-4:C[5]-3:B-3:	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]B)(H)	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5](P[5]C[5,6]C[6a]C)(C[5]C[5,6]H)(BC[6a]2)	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]B)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|B<3>,1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[5](P[5]C[5,6]C[6a]C)(C[5]C[5,6]H)(BC[6a]2){1|H<1>,2|C<3>,2|C<4>}	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:Se-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:O-1:	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)	C[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a]){1|H<1>,3|C<3>}	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[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O){2|C<3>}	108.6105	0.100	2	108.6105	0.010	2	108.5910	0.006	3	108.5910	0.006	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:Se-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:O-1:	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)	C[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a]){1|H<1>,3|C<3>}	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[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O){2|C<3>}	108.5520	0.000	1	108.5520	0.000	1	108.5910	0.006	3	108.5910	0.006	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6]-3:C[5]-3:N-2:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:N-2:	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)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]N)(NC[6a])	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>}	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[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]N)(NC[6a]){1|H<1>,3|C<3>}	106.7380	0.439	3	106.7380	0.192	3	106.7380	0.192	3	106.7380	0.192	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	3:4:3:	3:2:1:	C[5,6]-3:C[5]-3:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(OH){1|C<3>,1|H<1>,2|C<4>}	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>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	108.3620	0.123	2	108.3620	0.015	2	108.3620	0.015	2	108.3620	0.015	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	3:4:3:	3:3:2:	C[5,6]-3:C[5]-3:C-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(CC)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(Se[5]C[5,6])	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(CC){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	3:4:3:	3:3:3:	C[5,6]-3:C[5]-3:C-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(CN)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]Si)(C[5]C[5,6]C)(NHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(CN){1|Si<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Si<4>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]Si)(C[5]C[5,6]C)(NHH){2|C<4>}	105.3430	0.000	1	105.3430	0.000	1	105.3430	0.000	1	105.3430	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	3:4:3:	4:3:1:	C[5,6]-3:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(O)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(OH){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]O[6]C)(C[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(O){1|C<3>,1|C<4>,1|O<2>}	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	4:2:3:	3:3:2:	C[5,6]-3:C[5]-3:C-2:	C[5,6]-4:O[6]-2:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]N)(CN)	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C)	C[5](C[5]C[5,6]C)2(NC[6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]N)(CN){1|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C){1|N<2>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6]C)2(NC[6]){1|C<3>,1|C<4>,1|O<2>}	107.5150	0.000	1	107.5150	0.000	1	107.5150	0.000	1	107.5150	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	4:2:3:	4:3:4:	C[5,6]-3:C[5]-3:O-2:	C[5,6]-4:N[6]-2:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(OC)	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	112.5920	0.156	2	112.5920	0.024	2	112.5920	0.024	2	112.5920	0.024	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	4:3:3:	3:3:1:	C[5,6]-3:C[5]-3:O-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O)	C[5](C[5]C[5,6]O)2(O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5]){1|C<4>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]O){1|O<1>,2|O<2>,5|C<3>}	C[5](C[5]C[5,6]O)2(O){2|C<4>}	107.4610	0.345	2	107.4610	0.119	2	107.4610	0.119	2	107.4610	0.119	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:C-2:	C[6]-4:C[5,6]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)	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](C[5]C[5,6]CC)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN){2|C<2>,4|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>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(O){1|C<3>,1|C<4>}	111.3163	0.632	3	111.3163	0.399	3	111.3163	0.399	3	109.5980	12.077	4	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:N-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(NC[6a])	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N)	C[5](C[5]C[5,6]IO)(C[5]C[5,6]N)(O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(NC[6a]){1|C<4>,1|I<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[5,6]C[5,6]C[5])(C[5]C[5]N){1|I<1>,1|O<1>,2|O<2>,5|C<3>}	C[5](C[5]C[5,6]IO)(C[5]C[5,6]N)(O){2|C<4>}	104.4430	0.000	1	104.4430	0.000	1	104.4430	0.000	1	109.5980	12.077	4	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:2:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(OH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|H<1>,2|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]O)(O){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){4|C<3>,4|C<4>}	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	106.2880	0.000	1	106.2880	0.000	1	106.2880	0.000	1	106.2880	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){1|H<1>,2|C<4>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6]-3:C-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6]C[5,6]C[6])(CC[5a]C[6a])(C[5]N[5]H)	C[5,6](C[5,6]C[6]N[5])(C[6]N[5a,6]Re)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(N[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6])(CC[5a]C[6a])(C[5]N[5]H){1|Re<6>,1|C<3>,1|N<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>}	C[5](C[5]C[5,6]C)(N[5]C[5,6])(H){2|C<3>}	103.7130	0.000	1	103.7130	0.000	1	103.7130	0.000	1	104.6037	0.668	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:O[5]-2:O-1:	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)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCO){1|O<1>,2|C<4>}	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[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	105.0490	0.383	2	105.0490	0.147	2	105.0490	0.147	2	104.6037	0.668	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-3:C[5]-3:N[6]-3:	C[5]-3:Se[5]-2:C-3:	C[5](C[5,6]C[5,6]N[6])(C[5]Se[5]C)(COO)	C[5,6](C[5,6]Se[5]N[6])(C[5]C[5]C)(N[6]C[6]C)	C[5](C[5]C[5,6]C)(Se[5]C[5,6])(COO)	C[5](C[5,6]C[5,6]N[6])(C[5]Se[5]C)(COO){1|C<3>,1|C<4>,1|N<3>}	C[5,6](C[5,6]Se[5]N[6])(C[5]C[5]C)(N[6]C[6]C){1|C<4>,3|C<3>}	C[5](C[5]C[5,6]C)(Se[5]C[5,6])(COO){2|N<3>}	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6,6]-3:C[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5])	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5]){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	107.4955	0.548	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C[6a]-3:	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)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2)	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>}	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[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2){1|B<4>,2|H<1>,5|C<3>}	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	107.4955	0.548	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6]-3:C[5]-3:C[5a]-3:	C[5,6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:H-1:	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)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H)	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>}	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[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H){1|H<1>,3|C<3>,3|C<4>}	107.3380	0.000	1	107.3380	0.000	1	107.3380	0.000	1	108.1030	1.170	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:O-1:	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)	C[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a])(O)	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>}	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[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a])(O){8|C<3>}	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	108.1030	1.170	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	B[5]-4:C[5]-3:C[6a]-3:	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)	C[5](B[5]N[5,6]C[6a]C)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	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>}	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[5](B[5]N[5,6]C[6a]C)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	110.5370	0.000	1	110.5370	0.000	1	110.5844	0.045	5	110.5844	0.045	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	B[5]-4:C[5]-3:C[6a]-3:	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)	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	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>}	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[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	110.7700	0.000	1	110.7700	0.000	1	110.5844	0.045	5	110.5844	0.045	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	B[5]-4:C[5]-3:C[6a]-3:	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)	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	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>}	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[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	110.5383	0.260	3	110.5383	0.068	3	110.5844	0.045	5	110.5844	0.045	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH)	C[5](C[5]C[5,6]C[6a])(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|C<3>,4|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>}	C[5](C[5]C[5,6]C[6a])(O[5]C[5,6])(O){1|C<4>,3|C<3>}	107.1010	0.000	1	107.1010	0.000	1	107.1010	0.000	1	107.1010	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:4:	4:3:2:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:C-2:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]C)(N[6]C[6]2)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH)	C[5](C[5,6]C[6,6a]C[5,6]C[6])(C[5]C[5,6]N[6])(CN)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]C)(N[6]C[6]2){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH){1|C<2>,2|C<4>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[6])(C[5]C[5,6]N[6])(CN){1|O<1>,3|C<3>,4|C<4>}	108.1460	0.000	1	108.1460	0.000	1	108.1460	0.000	1	107.8690	0.153	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:3:4:	4:3:2:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5]-4:C[5]-3:C-2:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(N[6]C[6]2)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH)	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]N[6])(CN)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]N[6])(CN){3|C<3>,3|C<4>}	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	107.8690	0.153	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-3:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	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)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CCO){1|C<4>,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){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<4>,2|C<3>}	107.3610	0.369	2	107.3610	0.136	2	107.3610	0.136	2	107.3610	0.136	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:4:3:	3:2:3:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:Se[5]-2:N-3:	C[5](C[5,6]C[5,6]C[6])(C[5]Se[5]N)(COO)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(Se[5]C[5,6])(NCH)	C[5](C[5,6]C[5,6]C[6])(C[5]Se[5]N)(COO){2|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]C)(Se[5]C[5,6])(NCH){2|C<4>}	113.2470	0.000	1	113.2470	0.000	1	113.2470	0.000	1	113.2470	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CCO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CCC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CCO){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CCC){2|C<4>}	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O){1|C<4>,1|H<1>,3|C<3>}	108.1090	0.000	1	108.1090	0.000	1	108.1090	0.000	1	108.1090	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:2:	2:3:1:	C[5,6]-3:C[5]-3:C-3:	C[5,6,6]-4:C[5]-3:O[6]-2:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]O[6])(C[5]O[5]O)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6])	C[5](O[5]C[5,6,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6,6]O[6])(C[5]O[5]O)(CCO){3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6,6])(C[5]C[5,6]C)(O){1|O<2>,2|C<4>}	106.3490	0.000	1	106.3490	0.000	1	106.3490	0.000	1	106.3490	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:O[5]-2:O-1:	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)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	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>}	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[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<3>,1|C<4>,1|H<1>}	105.7930	0.000	1	105.7930	0.000	1	105.7930	0.000	1	105.7930	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:N[6]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6]C[5,6]N[6])(C[5]N[5]O)(CCO)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(N[6]C[6]C)	C[5](C[5]C[5,6]C)(N[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]N[6])(C[5]N[5]O)(CCO){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(N[6]C[6]C){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]H)(O){1|C<4>,1|H<1>,1|N<3>}	106.1380	0.584	2	106.1380	0.341	2	106.1380	0.341	2	106.1380	0.341	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C[6a]-3:	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)	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	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>}	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[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:C-3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[5]-3:H-1:	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)	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6]C)(H)	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>}	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[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	111.3950	0.000	1	111.3950	0.000	1	111.3950	0.000	1	109.5027	1.109	6	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:H-1:	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)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CCC){3|C<4>,3|H<1>}	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[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,2|C<4>}	109.6710	0.000	1	109.6710	0.000	1	109.6710	0.000	1	109.5027	1.109	6	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:O-1:	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)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	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>}	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[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|C<3>,2|C<4>}	108.5770	0.324	2	108.5770	0.105	2	108.5770	0.105	2	109.5027	1.109	6	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6,6]C[5,6]C[6a])(C[5]C[5,6]C[6a])(O)	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5]){10|C<3>,1|H<1>,1|O<1>}	C[5](C[5,6]C[5,6,6]C[5,6]C[6a])(C[5]C[5,6]C[6a])(O){9|C<3>}	109.3980	0.308	2	109.3980	0.095	2	109.3980	0.095	2	109.5027	1.109	6	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5]-3:C-3:	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)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]C)(COO)	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>}	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[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]C)(COO){1|C<4>,1|N<3>,3|C<3>}	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:3:	4:3:4:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5]-3:C-4:	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)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3)	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>}	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[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3){1|C<4>,5|C<3>}	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:4:	3:2:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[5](C[5]C[5,6]C[6a])(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a])(O[5]C[5,6])(O){1|H<1>,2|C<3>,2|C<4>}	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:4:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	Si[5,6,6]-4:C[5]-3:Si[6]-4:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC)	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|Si<4>,2|H<1>,4|C<3>,5|C<4>}	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC){1|Si<4>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|Si<4>,2|H<1>,4|C<3>,5|C<4>}	116.2782	0.477	4	116.2782	0.228	4	116.2782	0.228	4	116.2782	0.228	4	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:3:4:	3:4:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5]-3:C[5]-4:O-1:	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]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|H<1>,2|C<4>}	108.0380	0.000	1	108.0380	0.000	1	108.5087	0.166	3	108.5087	0.166	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO)	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(COO){1|C<4>,1|H<1>,3|O<2>}	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	108.7440	0.000	2	108.7440	0.000	2	108.5087	0.166	3	108.5087	0.166	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:4:3:	3:4:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:O-1:	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]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	108.5440	0.706	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:3:	4:4:3:	3:4:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	108.5440	0.706	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	3:3:2:	4:3:4:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:P[6]-2:	P[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(P[6]C[6])	C[5](P[5]C[5,6]CS)(C[5]C[5,6]C)(CCHH)	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH){1|C<4>,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>}	C[5](P[5]C[5,6]CS)(C[5]C[5,6]C)(CCHH){1|C<3>,1|P<2>}	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	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)	C[5](C[5]C[5,6]C)2(H)	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>}	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[5](C[5]C[5,6]C)2(H){1|B<4>,1|C<3>}	106.0005	0.183	2	106.0005	0.034	2	106.0005	0.034	2	106.0005	0.034	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	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)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3)	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>}	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[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3){2|C<3>}	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	3:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	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>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	107.6840	0.000	1	107.4655	0.095	2	107.4655	0.095	2	107.4655	0.095	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	3:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	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>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	107.2470	0.000	1	107.4655	0.095	2	107.4655	0.095	2	107.4655	0.095	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C)	C[5](C[5]C[5,6]C)2(H)	C[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|F<1>}	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>}	C[5](C[5]C[5,6]C)2(H){1|B<4>,1|C<3>}	109.2780	0.413	2	109.2780	0.171	2	109.2780	0.171	2	109.0287	0.272	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>}	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	109.0287	0.272	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	3:4:3:	3:3:3:	C[5,6]-3:C[5]-3:Si-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si)	C[5](C[5]C[5,6]Si)(C[5]C[5,6]C)(NHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3){1|C<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]Si)(C[5]C[5,6]C)(NHH){2|C<4>}	105.0910	0.000	1	105.0910	0.000	1	105.0910	0.000	1	105.0910	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	3:4:3:	3:3:4:	C[5,6]-3:C[5]-3:C-4:	P[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3)	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C)	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3)	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3){1|C<4>,1|P<3>,2|C<3>}	114.0955	0.062	2	114.0955	0.004	2	114.0955	0.004	2	114.0955	0.004	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	3:4:3:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	P[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3)	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C)	C[5](P[5]C[5,6]C[6a]W)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3){1|C<3>,1|W<6>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,1|W<6>,4|H<1>}	C[5](P[5]C[5,6]C[6a]W)(C[5]C[5,6]C)(H){2|C<3>,2|C<4>}	113.7780	0.000	1	113.7780	0.000	1	113.7780	0.000	1	107.8128	11.123	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	3:4:3:	4:3:1:	C[5,6]-3:C[5]-3:Si-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(SiC3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]Si)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Si)(O)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]Si){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Si)(O){1|C<3>,1|C<4>,1|H<1>}	106.3215	0.063	4	106.3215	0.004	4	106.3215	0.004	4	107.8128	11.123	5	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:2:3:	3:3:4:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:Se[6]-2:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3)	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C)	C[5](C[5]C[5,6]C)2(CH3)	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3){1|Se<2>,3|C<4>}	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C){2|C<3>,3|C<4>}	C[5](C[5]C[5,6]C)2(CH3){2|Se<2>,1|C<4>}	107.9060	0.000	1	107.9060	0.000	1	107.9060	0.000	1	107.9060	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:2:3:	4:3:4:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:N[6]-2:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:3:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:O[5]-2:O-1:	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)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	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>}	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[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<3>,1|C<4>,1|H<1>}	107.1100	0.000	1	107.1100	0.000	1	107.1100	0.000	1	107.1100	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:3:3:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(S[5]C[5,6])	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3){3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(S[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	112.2850	0.023	2	112.2850	0.001	2	112.2850	0.001	2	112.2850	0.001	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5,6]-3:C[5]-3:C-4:	C[6]-4:P[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3)	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C)	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3)	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C){3|C<4>,5|C<3>}	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3){1|C<4>,1|P<3>,2|C<3>}	113.9960	0.000	1	113.9960	0.000	1	113.9960	0.000	1	113.9960	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:H-1:	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)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3){3|C<4>,3|H<1>}	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[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>}	109.1640	0.000	1	109.1640	0.000	1	109.1640	0.000	1	107.7590	1.523	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5,6]-3:C[5]-3:Si-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:O-1:	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)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Si)(O)	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>}	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[5](C[5]C[5,6]HH)(C[5]C[5,6]Si)(O){1|C<3>,2|C<4>}	107.0565	0.292	2	107.0565	0.085	2	107.0565	0.085	2	107.7590	1.523	3	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	2:3:1:	C[5,6]-3:C[5]-3:C-4:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[3,5,6]C[3,6])(C[5]O[5]O)(CH3)	C[5,6](C[3,5,6]C[3,6]O[3]O[5])(C[3,6]C[3,6,6]O[3]H)(C[5]C[5]C)	C[5](O[5]C[3,5,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[3,5,6]C[3,6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[3,5,6]C[3,6]O[3]O[5])(C[3,6]C[3,6,6]O[3]H)(C[5]C[5]C){1|H<1>,1|O<1>,2|C<4>}	C[5](O[5]C[3,5,6])(C[5]C[5,6]C)(O){1|O<2>,2|C<4>}	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	107.8621	0.431	7	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	2:3:1:	C[5,6]-3:C[5]-3:C-4:	C[4,5,6]-4:C[6]-4:C[5]-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[4,5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[5](O[5]C[4,5,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[4,5,6]C[6])(C[5]O[5]O)(CH3){2|H<1>,3|C<4>}	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[4,5,6])(C[5]C[5,6]C)(O){3|C<4>}	108.3230	0.109	2	108.3230	0.012	2	108.3230	0.012	2	107.8621	0.431	7	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	2:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:C[5]-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C)	C[5](O[5]C[5,5,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5,6])(C[5]C[5,6]C)(O){1|O<2>,2|C<4>}	108.4240	0.000	1	108.4240	0.000	1	107.7065	1.030	2	107.8621	0.431	7	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	2:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:C[5]-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[5](O[5]C[5,5,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	C[5](O[5]C[5,5,6])(C[5]C[5,6]C)(O){1|O<2>,2|C<4>}	106.9890	0.000	1	106.9890	0.000	1	107.7065	1.030	2	107.8621	0.431	7	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	2:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C)	C[5](O[5]C[5,6,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](O[5]C[5,6,6])(C[5]C[5,6]C)(O){1|C<3>,2|C<4>}	108.4340	0.000	1	108.4340	0.000	1	107.9275	0.513	2	107.8621	0.431	7	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	2:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[5](O[5]C[5,6,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,6,6])(C[5]C[5,6]C)(O){3|C<4>}	107.4210	0.000	1	107.4210	0.000	1	107.9275	0.513	2	107.8621	0.431	7	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[3,6]C[5,6])(C[5]O[5]O)(CH3)	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[3,6]C[5,6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	106.8770	0.000	1	106.8770	0.000	1	106.8770	0.000	1	107.4237	0.246	17	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	106.7110	0.772	2	106.7110	0.596	2	106.7110	0.596	2	107.4237	0.246	17	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){3|C<4>}	107.1175	0.084	2	107.1175	0.007	2	107.1175	0.007	2	107.4237	0.246	17	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|H<1>,2|C<4>}	107.9830	0.000	1	107.9830	0.000	1	107.6391	0.116	12	107.4237	0.246	17	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|H<1>,2|C<4>}	107.3080	0.000	1	107.3080	0.000	1	107.6391	0.116	12	107.4237	0.246	17	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	107.6390	0.000	1	107.6390	0.000	1	107.6391	0.116	12	107.4237	0.246	17	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	107.5730	0.000	1	107.7090	0.181	6	107.6391	0.116	12	107.4237	0.246	17	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	107.5383	0.490	3	107.7090	0.181	6	107.6391	0.116	12	107.4237	0.246	17	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	108.0330	0.331	2	107.7090	0.181	6	107.6391	0.116	12	107.4237	0.246	17	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	107.4950	0.167	3	107.4950	0.028	3	107.6391	0.116	12	107.4237	0.246	17	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:F-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C)(F)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C)(F){1|H<1>,2|C<3>,2|C<4>}	106.1390	0.000	1	106.1390	0.000	1	106.1390	0.000	1	107.6230	1.017	4	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH)	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O){1|C<4>,2|O<2>}	108.1177	0.240	3	108.1177	0.057	3	108.1177	0.057	3	107.6230	1.017	4	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6])	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,8|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6]){1|C<3>,5|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	109.8700	0.000	1	109.8700	0.000	1	109.8700	0.000	1	109.8700	0.000	1	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[4,6]-4:C[5,6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3)	C[5,6](C[4,6]C[4,6]N[4]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[4,6]C[4,6]N[4]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	108.9483	0.127	12	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,3x6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH){3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O){1|O<2>,2|H<1>,3|C<4>}	109.2175	0.266	4	109.2175	0.071	4	109.2175	0.071	4	108.9483	0.127	12	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){3|C<4>}	108.6050	0.000	1	108.6050	0.000	1	108.8833	0.080	7	108.9483	0.127	12	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	108.4930	0.000	1	108.4930	0.000	1	108.8833	0.080	7	108.9483	0.127	12	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	109.2160	0.000	1	109.1190	0.019	2	108.8833	0.080	7	108.9483	0.127	12	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	109.0220	0.000	1	109.1190	0.019	2	108.8833	0.080	7	108.9483	0.127	12	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){3|C<4>}	108.8120	0.000	1	108.8120	0.000	1	108.8833	0.080	7	108.9483	0.127	12	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	109.2200	0.000	1	109.2200	0.000	1	108.8833	0.080	7	108.9483	0.127	12	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	108.8150	0.000	1	108.8150	0.000	1	108.8833	0.080	7	108.9483	0.127	12	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5,6]	C[5]	3:3:4:	4:4:3:	4:3:2:	C[5,6]-3:C[5]-3:Si-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:N-2:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]Si)(NC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]Si)(NC){1|H<1>,2|C<4>}	107.5475	0.691	2	107.5475	0.477	2	107.5475	0.477	2	107.5475	0.477	2	109.1438	7.872	220	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,5]	3:3:1:	3:3:3:	4:3:3:	C[5,5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(O){7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O){8|C<3>}	104.2950	0.000	1	104.2950	0.000	1	104.2950	0.000	1	104.2950	0.000	1	107.8025	3.659	8	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,5]	3:3:2:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	107.8025	3.659	8	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,5]	3:3:3:	3:3:2:	5:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:	Si[5,5]-5:C[5]-3:C[5]-3:	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])	C[5,5](Si[5,5]C[6a]2O[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5]){1|O<2>,2|H<1>,7|C<3>}	C[5,5](Si[5,5]C[6a]2O[5]2)(C[5]C[6a]C[5])2{10|C<3>}	110.7940	0.000	1	110.7940	0.000	1	110.7940	0.000	1	110.7940	0.000	1	107.8025	3.659	8	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{1|O<1>,9|C<3>}	109.0000	0.000	1	109.0000	0.000	1	108.1710	1.374	2	108.1710	1.374	2	107.8025	3.659	8	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{2|F<1>,9|C<3>}	107.3420	0.000	1	107.3420	0.000	1	108.1710	1.374	2	108.1710	1.374	2	107.8025	3.659	8	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,5|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,2|H<1>,3|C<3>}	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	107.8025	3.659	8	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,5]	3:3:3:	3:4:3:	4:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{2|F<1>,9|C<3>}	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	107.8025	3.659	8	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,5]	3:3:3:	4:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C[6]-3:	N[5,5]-3:C[5]-3:N[5]-3:	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)	C[5,5](N[5,5]C[5]2)(C[5]C[5]C)(N[5]C[5]H)	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>}	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[5,5](N[5,5]C[5]2)(C[5]C[5]C)(N[5]C[5]H){1|O<2>,2|C<3>,4|H<1>}	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	107.8025	3.659	8	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,6]	3:3:1:	3:3:3:	3:2:3:	C[5,6]-3:C[5]-3:Br-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6a]-3:N[6]-2:C[5]-3:	C[5](C[5,6]C[5,6,6a]N[6])(C[5]C[5,6a]C[6a])(Br)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]2)	C[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br)	C[5](C[5,6]C[5,6,6a]N[6])(C[5]C[5,6a]C[6a])(Br){1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br){5|C<3>}	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	111.6640	4.545	7	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,6]	3:3:1:	4:3:3:	3:3:3:	C[5,6]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:P[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(P[5]P[5]2)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	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>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(P[5]P[5]2){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	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>}	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	112.1967	1.360	3	111.6640	4.545	7	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,6]	3:3:1:	4:3:3:	3:3:3:	C[5]-3:C[5,6]-3:H-1:	B[5,6,6]-4:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5]B[5,6,6]C[6a])(C[5,6]N[5,6]C[6])(H)	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	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>}	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(C[6a]C[6a]2){4|C<3>,4|C<4>,4|H<1>}	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>}	112.8635	0.227	2	112.8635	0.052	2	112.8635	0.052	2	112.1967	1.360	3	111.6640	4.545	7	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,6]	3:3:1:	4:4:3:	3:3:3:	C[5,6]-3:C[5]-3:H-1:	B[5,6,6]-4:C[5]-4:C[5]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]C[5])(H)	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5]2Fe)(C[5]C[5,6]H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	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>}	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5]2Fe)(C[5]C[5,6]H){2|C<3>,4|H<1>,6|C<4>}	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>}	113.5060	0.061	2	113.5060	0.004	2	113.5060	0.004	2	113.5060	0.004	2	111.6640	4.545	7	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]N[5,6]C[6a])(C[5]C[5,6]C[6a])(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)	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>}	C[5](B[5]N[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	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>}	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	111.6640	4.545	7	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5]N[5]H)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5])(H)	C[5](C[5]C[5]Br)(N[5]N[5])(H)	C[5](C[5]N[5]H)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5])(H){1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5])(H){1|H<1>}	106.0910	0.000	1	106.0910	0.000	1	106.0910	0.000	1	109.2507	49.006	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-2:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5])(H)	C[5](C[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5])(H){1|H<1>}	C[5](C[5]C[5]H)(S[5]C[5])(H){1|H<1>}	119.7440	0.000	1	119.7440	0.000	1	119.7440	0.000	1	109.2507	49.006	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:I-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5]N[5]H)2(I)	C[5](C[5]C[5]I)(N[5]N[5])(H)	C[5](C[5]C[5]I)(N[5]N[5])(H)	C[5](C[5]N[5]H)2(I)	C[5](C[5]C[5]I)(N[5]N[5])(H){1|H<1>}	C[5](C[5]C[5]I)(N[5]N[5])(H){1|H<1>}	105.5840	0.188	2	105.5840	0.035	2	105.5840	0.035	2	109.2507	49.006	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-2:O-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(N[5]C[5])(O)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|O<1>}	C[5](C[5]C[5]Br)(N[5]C[5])(O){1|Br<1>,1|O<1>}	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|O<1>}	106.4260	0.163	2	106.4260	0.026	2	106.4260	0.026	2	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-2:O-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(N[5]C[5])(O)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl){1|O<1>}	C[5](C[5]C[5]Cl)(N[5]C[5])(O){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl){1|O<1>}	106.9165	0.325	2	106.9165	0.105	2	106.9165	0.105	2	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|C<3>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|Cl<1>,1|C<3>}	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl){1|O<1>}	108.9292	0.197	4	108.9292	0.039	4	108.6862	0.165	6	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|O<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|O<1>}	108.2000	0.045	2	108.2000	0.002	2	108.6862	0.165	6	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-2:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]C[5]P)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|P<4>}	C[5](C[5]C[5]H)(C[5]N[5])(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(N[5]C[5]P)(H){1|H<1>}	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Cl[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Cl[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Cl[5]C[5])(H)	C[5](C[5]Cl[5]C)(C[5]C[5]H)(H)	C[5](C[5]Cl[5]H)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[5]H)(Cl[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5]Cl[5]C)(C[5]C[5]H)(H){1|H<1>}	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:Br-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]Br)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5])(Br)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]Br)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(Br){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Br<1>}	104.7843	0.693	4	104.7843	0.481	4	104.7843	0.481	4	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]N[5]B)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|B<5>}	C[5](C[5]C[5]H)(N[5]C[5])(H){1|B<5>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]B)(H){1|H<1>}	107.9710	0.000	1	107.9710	0.000	1	106.4312	0.487	16	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|H<1>}	106.2560	0.532	14	106.3285	0.341	15	106.4312	0.487	16	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5])(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|H<1>}	107.3440	0.000	1	106.3285	0.341	15	106.4312	0.487	16	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(C[5]O[5]H)(H)	C[5](C[5]C[5]H)(O[5]N[5])(H)	C[5](N[5]O[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]O[5]H)(H){1|Fe<6>}	C[5](C[5]C[5]H)(O[5]N[5])(H){1|Fe<6>,1|H<1>}	C[5](N[5]O[5]Fe)(C[5]C[5]H)(H){1|H<1>}	106.5363	1.933	3	106.5363	3.737	3	106.5363	3.737	3	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|O<1>}	108.4667	0.196	3	108.4667	0.038	3	108.2230	0.131	5	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|O<1>}	107.8575	0.043	2	107.8575	0.002	2	108.2230	0.131	5	107.0923	2.940	40	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5]-3:N[5]-3:O-2:	C[5](C[5]N[5]O)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(S[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]S[5]C)(OH)	C[5](C[5]N[5]O)(C[5]S[5]H)(H){1|C<4>}	C[5](C[5]C[5]H)(S[5]N[5])(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]H)(N[5]S[5]C)(OH){1|H<1>}	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(Br)	C[5](C[5]C[5]Br)(O[5]C[5])(O)	C[5](C[5]C[5]Br)(C[5]O[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]O)(Br){1|C<3>}	C[5](C[5]C[5]Br)(O[5]C[5])(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]Br)(C[5]O[5]C)(CH3){1|O<1>}	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	109.7675	0.712	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]C)(CH3){1|O<1>}	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	109.7675	0.712	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]O[5]O)(Br)	C[5](C[5]C[5]Br)(O[5]C[5])(O)	C[5](C[5]O[5]HS)(C[5]C[5]Br)(Br)	C[5](C[5]C[5]Br)(C[5]O[5]O)(Br){1|H<1>,1|S<4>}	C[5](C[5]C[5]Br)(O[5]C[5])(O){1|Br<1>,1|H<1>,1|S<4>}	C[5](C[5]O[5]HS)(C[5]C[5]Br)(Br){1|O<1>}	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	108.8036	0.499	58	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(Br)	C[5](C[5]C[5]Br)(O[5]C[5])(O)	C[5](C[5]O[5]CC)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(Br){2|C<4>}	C[5](C[5]C[5]Br)(O[5]C[5])(O){1|H<1>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]Br)(H){1|O<1>}	109.4930	0.000	1	109.4930	0.000	1	109.6494	0.123	8	108.8036	0.499	58	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(Br)	C[5](C[5]C[5]Br)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(Br){1|C<4>,1|H<1>}	C[5](C[5]C[5]Br)(O[5]C[5])(O){1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	109.6717	0.372	7	109.6717	0.139	7	109.6494	0.123	8	108.8036	0.499	58	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|H<1>,1|S<4>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|Cl<1>,1|H<1>,1|S<4>}	C[5](C[5]O[5]HS)(C[5]C[5]Cl)(Cl){1|O<1>}	109.0593	0.300	3	109.0593	0.090	3	109.0593	0.090	3	108.8036	0.499	58	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|O<2>,2|H<1>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(H){1|O<1>}	110.3090	0.000	1	110.3090	0.000	1	110.3090	0.000	1	108.8036	0.499	58	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]H)(Br)	C[5](C[5]C[5]Br)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|Br<1>,1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(Br){1|O<1>}	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	108.8036	0.499	58	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	108.5775	0.158	2	108.5775	0.025	2	108.6360	0.319	44	108.8036	0.499	58	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	108.9980	0.115	2	108.9980	0.013	2	108.6360	0.319	44	108.8036	0.499	58	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	108.5528	0.405	9	108.5528	0.164	9	108.6360	0.319	44	108.8036	0.499	58	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	108.6711	0.621	30	108.6711	0.385	30	108.6360	0.319	44	108.8036	0.499	58	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]O[5]Co2)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|Co<5>}	C[5](C[5]C[5]H)(O[5]C[5])(O){2|Co<5>,1|H<1>}	C[5](C[5]O[5]Co2)(C[5]C[5]H)(H){1|O<1>}	107.7270	0.000	1	107.7270	0.000	1	108.6360	0.319	44	108.8036	0.499	58	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]O[5]HS)(C[5]C[5]H)(CC[6a])	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|H<1>,1|S<2>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<2>,1|H<1>,1|S<2>}	C[5](C[5]O[5]HS)(C[5]C[5]H)(CC[6a]){1|O<1>}	108.9380	0.000	1	108.9380	0.000	1	108.9380	0.000	1	108.9380	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:Br-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(Br)	C[5](C[5]C[5]Br)(O[5]C[5])(O)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC)	C[5](C[5]C[5]N)(C[5]O[5]O)(Br){1|H<1>,1|O<2>}	C[5](C[5]C[5]Br)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC){1|O<1>}	109.9250	0.004	2	109.9250	0.000	2	110.0302	0.886	6	109.8774	0.509	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:Br-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(Br)	C[5](C[5]C[5]Br)(O[5]C[5])(O)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH)	C[5](C[5]C[5]N)(C[5]O[5]O)(Br){1|H<1>,1|O<2>}	C[5](C[5]C[5]Br)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH){1|O<1>}	110.4933	1.090	3	110.4933	1.188	3	110.0302	0.886	6	109.8774	0.509	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:Br-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(Br)	C[5](C[5]C[5]Br)(O[5]C[5])(O)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NNS)	C[5](C[5]C[5]N)(C[5]O[5]O)(Br){1|H<1>,1|O<2>}	C[5](C[5]C[5]Br)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NNS){1|O<1>}	108.8510	0.000	1	108.8510	0.000	1	110.0302	0.886	6	109.8774	0.509	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|C<4>,1|H<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H){1|O<1>}	109.4620	0.157	2	109.4620	0.025	2	109.8024	0.309	7	109.8774	0.509	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC){1|O<1>}	110.3495	0.023	2	110.3495	0.001	2	109.8024	0.309	7	109.8774	0.509	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH)	C[5](C[5]C[5]N)(C[5]O[5]O)(Cl){1|H<1>,1|O<2>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH){1|O<1>}	109.6647	0.686	3	109.6647	0.470	3	109.8024	0.309	7	109.8774	0.509	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCH){1|O<1>}	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.8774	0.509	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH){1|O<1>}	109.2463	0.178	3	109.2463	0.032	3	109.1099	0.215	9	109.1099	0.215	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH){1|O<1>}	109.2950	0.945	2	109.2950	0.892	2	109.1099	0.215	9	109.1099	0.215	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:1:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	108.9150	0.402	4	108.9150	0.162	4	109.1099	0.215	9	109.1099	0.215	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-2:C-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]C)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5])(CC)	C[5](C[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5])(CC){1|H<1>}	C[5](C[5]C[5]H)(S[5]C[5])(H){1|C<2>}	113.5680	0.000	1	113.5680	0.000	1	113.5680	0.000	1	116.9490	8.576	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:S-2:	C[5]-3:S[5]-2:S-1:	C[5](C[5]S[5]S)2(H)	C[5](C[5]C[5]H)(S[5]S[5])(SC)	C[5](C[5]C[5]H)(S[5]S[5])(S)	C[5](C[5]S[5]S)2(H)	C[5](C[5]C[5]H)(S[5]S[5])(SC){1|S<1>}	C[5](C[5]C[5]H)(S[5]S[5])(S){1|S<2>}	118.6395	0.066	2	118.6395	0.004	2	118.6395	0.004	2	116.9490	8.576	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:N-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]C[5])(NC)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(NC){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|N<2>}	107.1970	0.000	1	107.1970	0.000	1	106.6824	0.179	5	105.5125	0.619	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:N-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]C[5])(NC[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(NC[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|N<2>}	106.2555	0.045	2	106.2555	0.002	2	106.6824	0.179	5	105.5125	0.619	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:N-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]C[5])(NC[5a])	C[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(C[5]N[5]N)(H){1|N<2>}	C[5](C[5]C[5]H)(N[5]C[5])(NC[5a]){1|H<1>,1|N<2>}	C[5](C[5]C[5]H)(C[5]N[5]N)(H){1|N<2>}	106.8520	0.170	2	106.8520	0.029	2	106.6824	0.179	5	105.5125	0.619	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5])(OC)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(OC){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|O<2>}	105.0618	0.357	6	105.0618	0.128	6	105.0212	0.168	11	105.5125	0.619	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5])(OC[6a])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(OC[6a]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|O<2>}	104.9724	0.505	5	104.9724	0.255	5	105.0212	0.168	11	105.5125	0.619	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:S-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](C[5]C[5]H)(N[5]C[5])(SC[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(SC[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|S<2>}	105.4383	0.465	6	105.4383	0.216	6	105.4383	0.216	6	105.5125	0.619	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	2:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:Se[5]-2:C[5]-3:	Se[5]-2:C[5]-3:C-3:	C[5](C[5]C[6a]Se[5])(C[5]Se[5]C)(H)	C[5](C[6a]C[6a]2)(Se[5]Se[5])(C[5]C[5]H)	C[5](Se[5]Se[5])(C[5]C[5]H)(CC[6a]C)	C[5](C[5]C[6a]Se[5])(C[5]Se[5]C)(H){2|C<3>}	C[5](C[6a]C[6a]2)(Se[5]Se[5])(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](Se[5]Se[5])(C[5]C[5]H)(CC[6a]C){1|C<3>}	124.7795	0.500	2	124.7795	0.250	2	124.7795	0.250	2	124.7795	0.250	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5])(CCN)	C[5](C[5]C[5]H)(N[5]N[5])(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5])(CCN){1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5])(H){1|C<3>}	103.6640	0.000	1	103.6640	0.000	1	103.6640	0.000	1	103.6640	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(COO)	C[5](C[5]C[5]H)(N[5]N[5])(COO)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(COO){1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5])(COO){1|C<3>}	104.2320	0.385	2	104.2320	0.148	2	104.2320	0.148	2	104.2320	0.148	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5])(CCC)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl){1|O<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(CCC){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|C<3>}	108.4740	0.000	1	108.4740	0.000	1	108.1617	0.052	4	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5])(CC[5a]C)	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl)	C[5](C[5]C[5]Cl)(C[5]O[5]C)(Cl){1|O<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(CC[5a]C){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]Cl)(C[5]O[5]O)(Cl){1|C<3>}	108.0577	0.116	3	108.0577	0.013	3	108.1617	0.052	4	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Cl[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Cl[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Cl[5]C[5])(CCO)	C[5](C[5]Cl[5]H)(C[5]C[5]H)(H)	C[5](C[5]Cl[5]C)(C[5]C[5]H)(H){1|H<1>}	C[5](C[5]C[5]H)(Cl[5]C[5])(CCO){2|H<1>}	C[5](C[5]Cl[5]H)(C[5]C[5]H)(H){1|C<3>}	111.0620	0.000	1	111.0620	0.000	1	111.0620	0.000	1	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCC)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CCC){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	105.7940	0.146	2	105.7940	0.021	2	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.3648	0.659	4	106.3648	0.435	4	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]C)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]C){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.9164	0.714	5	106.9164	0.509	5	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.7910	0.207	3	106.7910	0.043	3	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]2)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]2){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.6360	0.269	2	106.6360	0.072	2	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]C)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]C){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.9049	0.414	17	106.9049	0.171	17	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.8830	0.510	24	106.8830	0.260	24	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	107.3041	0.929	7	107.3041	0.863	7	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]O)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]O){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	105.9820	0.000	1	105.9820	0.000	1	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.6391	0.331	14	106.6391	0.109	14	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]C)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]C){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.7060	1.332	2	106.7060	1.775	2	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]C)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]C){1|C<3>,1|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	107.4285	0.268	2	107.4285	0.072	2	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.7170	0.000	1	106.7170	0.000	1	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]O)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]O){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	105.3840	0.000	1	105.3840	0.000	1	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHN)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CHN){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.5665	0.023	2	106.5665	0.001	2	106.7978	0.345	87	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:N-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]C)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]C){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|N<3>}	105.4375	0.104	2	105.4375	0.011	2	105.8616	0.238	9	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:N-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|N<3>}	105.9827	0.489	7	105.9827	0.239	7	105.8616	0.238	9	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCC)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCC){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<3>}	108.6050	0.000	1	108.6050	0.000	1	108.6230	0.128	3	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<3>}	108.6320	0.506	2	108.6320	0.256	2	108.6230	0.128	3	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5]H)	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|C<3>}	116.2480	0.082	3	116.2480	0.007	3	116.0962	0.097	4	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5a]H)	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|C<3>}	115.6410	0.000	1	115.6410	0.000	1	116.0962	0.097	4	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:C-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5]Se[5]C)(C[5]C[5]I)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]O)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I)	C[5](C[5]Se[5]C)(C[5]C[5]I)(H){1|C<3>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]O){1|C<3>,1|I<1>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I){3|C<3>}	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	107.2753	4.279	109	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	C[5](C[5]C[5]H)(C[5]O[5]O)(NCH)	C[5](C[5]C[5]N)(C[5]O[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|N<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(NCH){1|C<3>}	108.5410	0.000	1	108.5410	0.000	1	108.5410	0.000	1	108.5410	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]C)(Br)	C[5](C[5]C[5]Br)(O[5]C[5])(CCH)	C[5](C[5]C[5]Br)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]C)(Br){1|O<1>}	C[5](C[5]C[5]Br)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	C[5](C[5]C[5]Br)(C[5]O[5]O)(CH3){1|C<3>}	110.7403	0.481	6	110.7403	0.232	6	110.7403	0.232	6	109.4358	1.634	20	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>}	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	109.4358	1.634	20	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(CHH)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5])(CHH){1|C<3>,1|C<4>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){3|C<3>}	107.2155	0.163	2	107.2155	0.027	2	107.2155	0.027	2	109.4358	1.634	20	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>}	109.3484	0.618	11	109.3484	0.382	11	109.3484	0.382	11	109.4358	1.634	20	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCC)	C[5](C[5]O[5]CO)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]H)(O[5]C[5])(CCC){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]O[5]CO)(C[5]C[5]H)(H){1|C<3>}	107.6980	0.000	1	107.6980	0.000	1	107.6283	0.208	3	107.9437	0.613	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6a]C)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H){2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[6a]C){1|H<1>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|C<3>}	107.5935	0.640	2	107.5935	0.410	2	107.6283	0.208	3	107.9437	0.613	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-2:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5,6]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]C[5]H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5,6]H)(H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	107.0900	0.000	1	107.0900	0.000	1	107.0900	0.000	1	107.9437	0.613	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]O[5])(C[5]C[5,5]O)(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	C[5](C[5]C[6a]O[5])(C[5]C[5,5]O)(H){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	108.8830	0.000	1	108.8435	0.003	2	108.8435	0.003	2	107.9437	0.613	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]O[5])(C[5]C[5,5]O)(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	C[5](C[5]C[6a]O[5])(C[5]C[5,5]O)(H){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	108.8040	0.000	1	108.8435	0.003	2	108.8435	0.003	2	107.9437	0.613	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-2:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCHH)	C[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCHH){1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5])(H){1|C<4>}	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:2:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-4:	C[5]-3:S[5]-2:S-2:	C[5](C[5]S[5]C)(C[5]S[5]S)(H)	C[5](C[5]C[5]H)(S[5]S[5])(CH3)	C[5](C[5]C[5]H)(S[5]S[5])(SCr)	C[5](C[5]S[5]C)(C[5]S[5]S)(H)	C[5](C[5]C[5]H)(S[5]S[5])(CH3){1|S<2>}	C[5](C[5]C[5]H)(S[5]S[5])(SCr){1|C<4>}	118.2730	0.611	2	118.2730	0.373	2	118.2730	0.373	2	118.2730	0.373	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3)	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3){1|C<4>}	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3){1|C<4>}	107.5360	0.000	1	107.5360	0.000	1	107.5360	0.000	1	105.6410	4.355	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(CF3)	C[5](C[5]C[5]H)(N[5]N[5])(CF3)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(CF3){1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5])(CF3){1|C<4>}	102.5400	0.000	1	102.5400	0.000	1	105.2620	4.366	5	105.6410	4.355	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<4>}	106.7383	0.549	3	106.7383	0.301	3	105.2620	4.366	5	105.6410	4.355	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(CHHN)	C[5](C[5]C[5]H)(N[5]N[5])(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(CHHN){1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5])(CHHN){1|C<4>}	103.5550	0.000	1	103.5550	0.000	1	105.2620	4.366	5	105.6410	4.355	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCCH)	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CCCH){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>}	107.3850	0.000	1	107.3850	0.000	1	107.5985	0.394	31	107.8689	3.542	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2C)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2C){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	107.8637	0.558	3	107.8637	0.311	3	107.5985	0.394	31	107.8689	3.542	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	107.1005	0.416	8	107.1005	0.173	8	107.5985	0.394	31	107.8689	3.542	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	107.7400	0.832	2	107.7400	0.691	2	107.5985	0.394	31	107.8689	3.542	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHHN)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(CHHN){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	108.0690	0.474	7	108.0690	0.225	7	107.5985	0.394	31	107.8689	3.542	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHHP)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(CHHP){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	107.5812	0.677	10	107.5812	0.458	10	107.5985	0.394	31	107.8689	3.542	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C[5](N[5]O[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]O[5]C)(H){1|Pt<4>}	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Pt<4>,1|H<1>}	C[5](N[5]O[5]Pt)(C[5]C[5]H)(H){1|C<4>}	105.2560	0.205	2	105.2560	0.042	2	105.2560	0.042	2	107.8689	3.542	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C[5]-3:I-1:	C[5](C[5]Se[5]C)(C[5]C[5]I)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I)	C[5](C[5]Se[5]C)(C[5]C[5]I)(H){1|C<3>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO){1|C<3>,1|I<1>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I){1|C<4>,2|C<3>}	114.6715	0.286	2	114.6715	0.082	2	114.6715	0.082	2	107.8689	3.542	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CP[6]HH)	C[5](C[5]C[5]H)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(CP[6]HH){1|C<3>,1|C<4>}	C[5](C[5]C[5]H)(C[5]N[5]C)(COO){1|C<4>}	108.1345	1.003	2	108.1345	1.007	2	108.1345	1.007	2	106.5582	2.514	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C[5](N[5]O[5]Co)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)(C[5]O[5]C)(H){1|Co<6>}	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Co<6>,1|C<3>}	C[5](N[5]O[5]Co)(C[5]C[5]H)(COO){1|C<4>}	104.8710	0.000	1	104.8710	0.000	1	104.8710	0.000	1	106.5582	2.514	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	N[5]-3:C[5]-3:N-3:	C[5](C[5]N[5]N)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C[5](N[5]O[5]Zn)(C[5]C[5]H)(NHH)	C[5](C[5]N[5]N)(C[5]O[5]C)(H){1|Zn<4>}	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Zn<4>,1|N<3>}	C[5](N[5]O[5]Zn)(C[5]C[5]H)(NHH){1|C<4>}	105.8255	0.398	2	105.8255	0.158	2	105.8255	0.158	2	106.5582	2.514	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]P)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC3)	C[5](C[5]C[5]H)(C[5]N[5]C)(PMoCC)	C[5](C[5]C[5]P)(C[5]N[5]C)(H){1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(CC3){1|C<4>,1|P<4>}	C[5](C[5]C[5]H)(C[5]N[5]C)(PMoCC){1|C<4>}	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	107.5990	5.780	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C[5](N[5]O[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]O[5]C)(H){1|Pd<4>}	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Pd<4>,1|C<4>}	C[5](N[5]O[5]Pd)(C[5]C[5]H)(CH3){1|C<4>}	105.8990	0.000	1	105.8990	0.000	1	105.8990	0.000	1	107.5990	5.780	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]O[5]SiTi)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Si<5>,1|Ti<7>}	C[5](C[5]C[5]H)(O[5]C[5])(CH3){1|Si<5>,1|Ti<7>,1|H<1>}	C[5](C[5]O[5]SiTi)(C[5]C[5]H)(H){1|C<4>}	106.8100	0.140	2	106.8100	0.020	2	106.8100	0.020	2	106.9203	0.046	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)(C[5]O[5]C)(H){2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(CCCH){1|O<1>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<4>}	107.1410	0.000	1	107.1410	0.000	1	107.1410	0.000	1	106.9203	0.046	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:2:5:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:B-5:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]B)(H)	C[5](C[5]C[5]H)(N[5]C[5])(BTa2BB)	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]B)(H){1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(BTa2BB){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|B<5>}	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:F-1:	C[5]-3:C[5]-3:F-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5]F)(C[5]N[5]H)(F)	C[5](C[5]C[6]N[5])(C[5]C[5]F)(F)	C[5](C[5]C[5]F)(N[5]C[5])(H)	C[5](C[5]C[5]F)(C[5]N[5]H)(F){1|C<3>}	C[5](C[5]C[6]N[5])(C[5]C[5]F)(F){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]F)(N[5]C[5])(H){1|C<3>,1|F<1>}	106.8925	0.006	2	106.8925	0.000	2	106.8925	0.000	2	114.9090	14.542	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]S[5]O)(H)	C[5](C[5]C[5]S[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(S[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]S[5]O)(H){1|C<3>}	C[5](C[5]C[5]S[5])(C[5]C[5]H)(H){1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]H)(S[5]C[5])(O){1|C<3>,1|H<1>}	114.9220	0.000	1	114.9220	0.000	1	114.9220	0.000	1	114.9090	14.542	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:H-1:	C[5](C[5]Se[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(H)	C[5](C[5]Se[5]H)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[5](C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|H<1>}	114.9675	0.211	2	114.9675	0.045	2	116.2592	1.826	9	114.9090	14.542	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:H-1:	C[5](C[5]Se[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(H)	C[5](C[5]Se[5]H)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|H<1>}	115.0230	0.000	1	116.7350	1.959	6	116.2592	1.826	9	114.9090	14.542	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:H-1:	C[5](C[5]Se[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(H)	C[5](C[5]Se[5]H)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|H<1>}	117.0774	1.253	5	116.7350	1.959	6	116.2592	1.826	9	114.9090	14.542	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:H-1:	C[5](C[5]Se[5]H)(C[5]C[5]H)(H)	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(H)	C[5](C[5]Se[5]H)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H){1|Se<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|H<1>}	115.9880	0.000	1	115.9880	0.000	1	116.2592	1.826	9	114.9090	14.542	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	P[5]-3:C[5]-3:H-1:	C[5]-3:P[5]-2:H-1:	C[5](C[5]P[5]H)2(H)	C[5](P[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(P[5]P[5])(H)	C[5](C[5]P[5]H)2(H){1|C<3>}	C[5](P[5]C[6a]P[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(P[5]P[5])(H){1|C<3>,1|H<1>}	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	114.9090	14.542	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:Se-2:	C[5](C[5]Se[5]Se)(C[5]C[5]H)(H)	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(SeC[5])	C[5](C[5]Se[5]Se)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H){1|Se<2>,1|C<3>,1|O<2>}	C[5](C[5]C[5]H)(Se[5]C[5])(SeC[5]){1|C<3>,1|H<1>}	115.2445	0.943	2	115.2445	0.888	2	115.2445	0.888	2	115.2445	0.888	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCC)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|N<2>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CCC){1|C<3>,1|H<1>}	107.8680	0.000	1	107.8680	0.000	1	107.8147	0.347	6	107.8147	0.347	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCC)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CCC){1|C<3>,1|H<1>}	108.0660	0.273	2	108.0660	0.074	2	107.8147	0.347	6	107.8147	0.347	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHN)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|N<2>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CHN){1|C<3>,1|H<1>}	107.6293	0.845	3	107.6293	0.714	3	107.8147	0.347	6	107.8147	0.347	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:Si-4:	C[5](C[5]Se[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(SiC3)	C[5](C[5]Se[5]Si)(C[5]C[5]H)(H){1|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|Si<4>,2|C<3>}	C[5](C[5]C[5]H)(Se[5]C[5])(SiC3){1|C<3>,1|H<1>}	117.2690	0.396	2	117.2690	0.157	2	117.3210	0.125	4	115.1962	22.668	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:Si-4:	C[5](C[5]Se[5]Si)(C[5]C[5]H)(H)	C[5](C[5]Se[5]B[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(SiC3)	C[5](C[5]Se[5]Si)(C[5]C[5]H)(H){1|B<3>}	C[5](C[5]Se[5]B[5])(C[5]C[5]H)(H){1|Si<4>,2|O<2>}	C[5](C[5]C[5]H)(Se[5]C[5])(SiC3){1|B<3>,1|H<1>}	117.3730	0.457	2	117.3730	0.209	2	117.3210	0.125	4	115.1962	22.668	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	115.1962	22.668	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(N[5]C[5]C)(O)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|C<4>,1|O<1>}	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|C<4>,1|O<1>}	C[5](C[5]C[5]Br)(N[5]C[5]C)(O){1|Br<1>,1|O<1>}	108.8655	1.621	2	108.8655	2.629	2	108.3589	0.626	8	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(N[5]C[5]H)(O)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|H<1>,1|O<1>}	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|H<1>,1|O<1>}	C[5](C[5]C[5]Br)(N[5]C[5]H)(O){1|Br<1>,1|O<1>}	108.4677	0.218	4	108.4677	0.047	4	108.3589	0.626	8	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(N[5]C[5]Pd)(O)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|Pd<4>,1|O<2>}	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|Pd<4>,1|O<1>}	C[5](C[5]C[5]Br)(N[5]C[5]Pd)(O){1|Br<1>,1|O<2>}	107.6345	0.046	2	107.6345	0.002	2	108.3589	0.626	8	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:N[5]-3:Br-1:	C[5](C[5]N[5]Br)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(Br)	C[5](C[5]N[5]Br)2(Br){1|Cu<4>,1|B<4>}	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br){1|Br<1>,1|Cu<4>}	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(Br){1|Br<1>,1|B<4>}	104.1318	0.715	6	104.1318	0.511	6	104.0251	0.603	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:N[5]-3:Br-1:	C[5](C[5]N[5]Br)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Mo)(Br)	C[5](C[5]N[5]Br)2(Br){1|Mo<8>,1|B<4>}	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br){1|Br<1>,1|Mo<8>}	C[5](C[5]C[5]Br)(N[5]N[5]Mo)(Br){1|Br<1>,1|B<4>}	103.8290	1.260	3	103.8290	1.588	3	104.0251	0.603	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:N[5]-3:Br-1:	C[5](C[5]N[5]Br)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Pd)(Br)	C[5](C[5]N[5]Br)2(Br){1|Pd<5>,1|B<4>}	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br){1|Br<1>,1|Pd<5>}	C[5](C[5]C[5]Br)(N[5]N[5]Pd)(Br){1|Br<1>,1|B<4>}	103.9990	0.330	2	103.9990	0.109	2	104.0251	0.603	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]C)(H)	C[5](C[5]C[5]Br)(N[5]N[5]Pd)(H)	C[5](C[5]N[5]H)2(Br){1|Pd<4>,1|C<4>}	C[5](C[5]C[5]Br)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]Pd)(H){1|C<4>,1|H<1>}	106.2260	0.924	6	106.2260	0.854	6	106.1991	0.620	8	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]C)(H)	C[5](C[5]C[5]Br)(N[5]N[5]Rh)(H)	C[5](C[5]N[5]H)2(Br){1|Rh<8>,1|C<4>}	C[5](C[5]C[5]Br)(N[5]N[5]C)(H){1|Rh<8>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]Rh)(H){1|C<4>,1|H<1>}	106.1185	0.226	2	106.1185	0.051	2	106.1991	0.620	8	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5,5a]-3:C[5]-3:Cl-1:	N[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O)	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl){2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl){1|O<1>,1|O<2>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]Cl)(O){1|Cl<1>,3|C<3>}	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(Cl)	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl)	C[5](C[5]C[5]Cl)2(Cl)	C[5](C[5]C[5]Cl)2(Cl){1|Cl<1>,1|C<3>}	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl){2|Cl<1>,2|N<3>}	C[5](C[5]C[5]Cl)2(Cl){1|Cl<1>,1|C<3>}	108.0880	0.296	6	108.0880	0.088	6	108.0880	0.088	6	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(N[5]C[5]H)(O)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl){1|H<1>,1|O<1>}	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl){1|H<1>,1|O<1>}	C[5](C[5]C[5]Cl)(N[5]C[5]H)(O){1|Cl<1>,1|O<1>}	108.5270	0.206	6	108.5270	0.043	6	108.5270	0.043	6	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(H)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(H)	C[5](C[5]N[5]H)2(Cl){1|Fe<5>,1|Fe<6>}	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(H){1|Fe<5>,1|H<1>}	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(H){1|Fe<6>,1|H<1>}	106.2328	0.301	6	106.2328	0.091	6	106.2328	0.091	6	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(H)	C[5](C[5,5]C[5,5]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)2(H){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]2)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|H<1>,3|C<4>}	111.3380	0.000	1	111.3380	0.000	1	110.3317	0.782	3	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]H)2(H){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<4>}	109.8285	0.214	2	109.8285	0.046	2	110.3317	0.782	3	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:	C[5](C[5]C[5,5a]H)2(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)	C[5](C[5]C[5,5a]H)2(H){2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]H)(C[5]N[5,5a]O)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O)	C[5](C[5]C[5,5a]H)(C[5]N[5,5a]O)(H){2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(O){2|C<3>,2|H<1>}	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]H)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)2(H){1|C<3>,1|C<4>}	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>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:O-1:	N[5,6]-3:C[5]-3:N-1:	C[5](C[5]C[5,6]O)(C[5]N[5,6]N)(H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]H)(N)	C[5](C[5]C[5,6]O)(C[5]N[5,6]N)(H){2|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O){1|N<1>,3|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]H)(N){1|O<1>,3|C<3>}	113.5130	0.000	1	113.5130	0.000	1	113.5130	0.000	1	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(Br)	C[5](C[5]C[5]C)(C[5]C[5]H)(Br)	C[5](C[5]C[5]Br)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(Br){1|Br<1>,1|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(Br){1|Br<1>,1|C<3>}	107.2897	0.344	3	107.2897	0.118	3	107.2897	0.118	3	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(H){1|Ni<7>,2|C<4>,2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<4>,1|H<1>}	108.4555	0.107	2	108.4555	0.011	2	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){2|C<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<2>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<2>,1|H<1>}	109.1000	0.483	3	108.8515	1.183	37	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	108.8181	1.142	33	108.8515	1.183	37	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	109.2090	0.000	1	108.8515	1.183	37	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(H){1|C<3>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|C<3>,1|H<1>}	108.4020	0.151	2	108.4020	0.023	2	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	108.8855	0.361	14	109.0771	0.636	20	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<4>,1|H<1>}	109.5240	1.317	6	109.0771	0.636	20	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	108.1028	0.624	4	108.1028	0.389	4	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|H<1>,1|P<4>}	108.6347	0.256	12	108.6347	0.066	12	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)(C[5]C[5]S)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|H<1>,1|S<4>}	C[5](C[5]C[5]H)(C[5]C[5]S)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|H<1>,1|S<4>}	108.0817	0.370	4	108.0817	0.137	4	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){2|H<1>}	C[5](C[5]C[5]H)2(H){2|H<1>}	C[5](C[5]C[5]H)2(H){2|H<1>}	107.9993	1.999	102	107.9993	3.996	102	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]Os)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Os<8>,1|H<1>}	C[5](C[5]C[5]Os)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Os<8>,1|H<1>}	108.1880	0.420	2	108.1880	0.176	2	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Si<4>,1|H<1>}	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Si<4>,1|H<1>}	108.1222	0.204	6	108.1222	0.042	6	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	108.1582	1.005	12	108.1582	1.009	12	108.3254	2.508	203	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>}	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]H)(O){1|C<3>,1|H<1>}	108.8213	0.457	3	108.8213	0.209	3	108.5545	0.808	52	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){2|H<1>}	105.9250	0.000	1	105.9250	0.000	1	108.5545	0.808	52	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	109.2045	0.682	2	108.5227	0.868	26	108.5545	0.808	52	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	108.4659	0.938	24	108.5227	0.868	26	108.5545	0.808	52	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	108.6753	0.744	22	108.6753	0.553	22	108.5545	0.808	52	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5]Pd)(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|Pd<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|Pd<4>,1|O<1>}	C[5](N[5]C[5]Pd)(C[5]C[5]H)(O){1|H<1>,1|O<1>}	106.7560	1.781	8	106.7560	3.173	8	106.7560	3.173	8	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	O[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](O[5]C[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H){1|Ru<6>,1|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Ru<6>,1|H<1>}	C[5](O[5]C[5]Ru)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	107.1210	0.000	1	107.1210	0.000	1	106.6600	3.211	17	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	O[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H)	C[5](O[5]C[5]Li)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H){1|Li<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]H)(H){1|Li<4>,1|H<1>}	C[5](O[5]C[5]Li)(C[5]C[5]H)(H){2|H<1>}	106.7233	2.132	4	106.7233	4.543	4	106.6600	3.211	17	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	O[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H)	C[5](O[5]C[5]Sm)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H){1|Sm<5>,1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]H)(H){1|Sm<5>,1|H<1>}	C[5](O[5]C[5]Sm)(C[5]C[5]H)(H){2|H<1>}	106.8098	2.708	6	106.8098	7.332	6	106.6600	3.211	17	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	O[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]H)(H)	C[5](C[5]O[5]Sn)(C[5]C[5]H)(H)	C[5](O[5]C[5]Li)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H){1|Li<4>,1|Sn<6>}	C[5](C[5]O[5]Sn)(C[5]C[5]H)(H){1|Li<4>,1|H<1>}	C[5](O[5]C[5]Li)(C[5]C[5]H)(H){1|Sn<6>,1|H<1>}	106.3912	0.240	6	106.3912	0.058	6	106.6600	3.211	17	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](S[5]C[5]Os)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Os<6>,1|C<3>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Os<6>,1|H<1>}	C[5](S[5]C[5]Os)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	114.3940	0.000	1	114.3940	0.000	1	113.4514	0.639	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](S[5]C[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Ru<6>,1|C<4>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Ru<6>,1|H<1>}	C[5](S[5]C[5]Ru)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	113.0140	0.000	1	113.0140	0.000	1	113.4514	0.639	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]P)(H)	C[5](S[5]C[5]Re)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Re<5>,1|P<4>}	C[5](C[5]C[5]H)(C[5]S[5]P)(H){1|Re<5>,1|H<1>}	C[5](S[5]C[5]Re)(C[5]C[5]H)(H){1|H<1>,1|P<4>}	113.6990	0.000	1	113.6990	0.000	1	113.4514	0.639	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]P)(H)	C[5](S[5]C[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Rh<4>,1|P<4>}	C[5](C[5]C[5]H)(C[5]S[5]P)(H){1|Rh<4>,1|H<1>}	C[5](S[5]C[5]Rh)(C[5]C[5]H)(H){1|H<1>,1|P<4>}	112.5910	0.000	1	112.5910	0.000	1	113.4514	0.639	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)	C[5](S[5]C[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Cu<4>,1|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>}	C[5](S[5]C[5]Cu)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	113.3810	0.410	2	113.3810	0.168	2	113.4514	0.639	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)	C[5](S[5]C[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Ru<5>,1|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>}	C[5](S[5]C[5]Ru)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	112.3950	0.000	1	112.3950	0.000	1	113.4514	0.639	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)	C[5](S[5]C[5]Yb)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Yb<12>,1|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>}	C[5](S[5]C[5]Yb)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	114.8200	0.000	1	114.8200	0.000	1	113.4514	0.639	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[6a]S[5])(C[5]C[5]H)(H)	C[5](S[5]C[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Ru<6>,1|C<3>}	C[5](C[5]C[6a]S[5])(C[5]C[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5](S[5]C[5]Ru)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	113.4830	1.151	2	113.4830	1.325	2	113.4514	0.639	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]S[5]Re)(C[5]C[5]H)(H)	C[5](S[5]C[5]Re)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H){2|Re<6>}	C[5](C[5]S[5]Re)(C[5]C[5]H)(H){1|Re<6>,1|H<1>}	C[5](S[5]C[5]Re)(C[5]C[5]H)(H){1|Re<6>,1|H<1>}	113.3240	0.000	1	113.3240	0.000	1	113.4514	0.639	11	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:I-1:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]I)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(I)	C[5](C[5]C[5]C)(C[5]C[5]H)(I)	C[5](C[5]C[5]I)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(I){1|C<3>,1|I<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(I){1|C<3>,1|I<1>}	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(O)	C[5](C[5]C[5]H)(C[5]C[5]P)(O)	C[5](C[5]C[5]O)2(H){2|P<4>}	C[5](C[5]C[5]H)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	C[5](C[5]C[5]H)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	104.9390	0.000	1	104.9390	0.000	1	104.9390	0.000	1	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]U)(H)	C[5](C[5]N[5]H)2(H){1|U<11>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|U<11>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]U)(H){1|B<4>,1|H<1>}	104.6063	0.338	3	104.6063	0.114	3	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]V)(H)	C[5](C[5]N[5]H)2(H){1|B<4>,1|V<6>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|H<1>,1|V<6>}	C[5](C[5]C[5]H)(N[5]N[5]V)(H){1|B<4>,1|H<1>}	104.8573	0.322	9	104.8573	0.103	9	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(H)	C[5](C[5]N[5]H)2(H){1|B<3>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|H<1>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]W)(H){1|B<3>,1|H<1>}	104.8560	0.313	3	104.8884	0.244	152	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(H)	C[5](C[5]N[5]H)2(H){1|B<4>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|H<1>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]W)(H){1|B<4>,1|H<1>}	105.1443	0.771	11	104.8884	0.244	152	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(H)	C[5](C[5]N[5]H)2(H){1|B<4>,1|W<7>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|H<1>,1|W<7>}	C[5](C[5]C[5]H)(N[5]N[5]W)(H){1|B<4>,1|H<1>}	104.8750	0.468	136	104.8884	0.244	152	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(H)	C[5](C[5]N[5]H)2(H){1|B<4>,1|W<8>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|H<1>,1|W<8>}	C[5](C[5]C[5]H)(N[5]N[5]W)(H){1|B<4>,1|H<1>}	104.4455	0.153	2	104.8884	0.244	152	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]V)(H)	C[5](C[5]N[5]H)2(H){1|C<4>,1|V<6>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|H<1>,1|V<6>}	C[5](C[5]C[5]H)(N[5]N[5]V)(H){1|C<4>,1|H<1>}	105.7291	0.852	9	105.7291	0.726	9	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]D)(H)	C[5](C[5]C[5]H)(N[5]N[5]D)(H)	C[5](C[5]N[5]H)2(H){2|D<1>}	C[5](C[5]C[5]H)(N[5]N[5]D)(H){1|D<1>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]D)(H){1|D<1>,1|H<1>}	105.7430	0.000	1	105.7430	0.000	1	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]H)2(H){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){2|H<1>}	105.4380	0.000	1	105.4380	0.000	1	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)2(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){2|H<1>}	106.0260	0.000	1	106.0260	0.000	1	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]N[5]H)2(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){2|H<1>}	106.1219	0.662	43	106.1219	0.438	43	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]V)(H)	C[5](C[5]N[5]H)2(H){1|H<1>,1|V<6>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|H<1>,1|V<6>}	C[5](C[5]C[5]H)(N[5]N[5]V)(H){2|H<1>}	105.3750	0.000	1	105.3750	0.000	1	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(H)	C[5](C[5]N[5]H)2(H){1|H<1>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|H<1>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]W)(H){2|H<1>}	104.9320	0.000	1	105.0535	0.030	2	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(H)	C[5](C[5]N[5]H)2(H){1|H<1>,1|W<8>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|H<1>,1|W<8>}	C[5](C[5]C[5]H)(N[5]N[5]W)(H){2|H<1>}	105.1750	0.000	1	105.0535	0.030	2	105.1715	0.538	222	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Be)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Be<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Be<4>,1|H<1>}	C[5](N[5]N[5]Be)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.0741	0.232	11	105.0741	0.054	11	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ca)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ca<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ca<6>,1|H<1>}	C[5](N[5]N[5]Ca)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.4290	0.000	1	104.3555	0.028	4	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ca)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ca<9>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ca<9>,1|H<1>}	C[5](N[5]N[5]Ca)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.3310	0.197	3	104.3555	0.028	4	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<4>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.1330	0.218	2	104.7231	0.095	22	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<5>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.6110	0.337	2	104.7231	0.095	22	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<6>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.8101	0.254	16	104.7231	0.095	22	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<8>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.7300	0.173	2	104.7231	0.095	22	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cr<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cr<6>,1|H<1>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.7661	1.930	8	105.6532	3.374	9	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cr<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cr<8>,1|H<1>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.7500	0.000	1	105.6532	3.374	9	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<4>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.4918	0.206	18	104.5972	0.132	21	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<5>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.2297	0.507	3	104.5972	0.132	21	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Eu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Eu<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Eu<8>,1|H<1>}	C[5](N[5]N[5]Eu)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.5414	0.627	12	104.5414	0.394	12	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<4>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	103.3900	0.747	2	104.8598	0.405	214	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<5>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.6128	0.427	8	104.8598	0.405	214	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|B<3>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|B<3>,1|H<1>}	105.2932	0.263	6	104.8598	0.405	214	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.8715	0.630	198	104.8598	0.405	214	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<6>,1|H<1>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.0825	0.382	23	105.2782	0.707	36	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<7>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<7>,1|H<1>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.7125	1.275	12	105.2782	0.707	36	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<8>,1|H<1>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.5670	0.000	1	105.2782	0.707	36	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Li<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Li<4>,1|H<1>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.3593	0.280	6	104.3593	0.079	6	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mg<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mg<5>,1|H<1>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.4403	0.219	7	104.4707	0.049	8	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mg<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mg<6>,1|H<1>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.6840	0.000	1	104.4707	0.049	8	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|B<3>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mn<6>,1|H<1>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){1|B<3>,1|H<1>}	104.9300	0.000	1	104.8939	0.137	14	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mn<6>,1|H<1>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.8912	0.386	13	104.8939	0.137	14	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mo<6>,1|B<3>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<6>,1|H<1>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H){1|B<3>,1|H<1>}	104.6677	0.645	3	104.9675	0.293	132	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mo<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<6>,1|H<1>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.0011	0.627	54	104.9675	0.293	132	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mo<7>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<7>,1|H<1>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.0236	0.458	47	104.9675	0.293	132	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mo<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<8>,1|H<1>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.8405	0.480	28	104.9675	0.293	132	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<5>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.0322	0.305	16	105.0497	0.080	36	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<6>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.0637	0.270	20	105.0497	0.080	36	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Os<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Os<5>,1|H<1>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.5125	0.543	6	105.1433	0.396	75	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Os<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Os<6>,1|H<1>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.0828	0.697	49	105.1433	0.396	75	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Os<7>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Os<7>,1|H<1>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.1188	0.529	12	105.1433	0.396	75	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Os<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Os<8>,1|H<1>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.2739	0.210	8	105.1433	0.396	75	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Pd<4>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.1080	0.509	2	104.6796	0.559	5	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pd<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Pd<6>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.3940	0.826	3	104.6796	0.559	5	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pt<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Pt<4>,1|H<1>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.7576	0.228	12	104.7576	0.052	12	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Pu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pu<9>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Pu<9>,1|H<1>}	C[5](N[5]N[5]Pu)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.6145	0.231	2	104.6145	0.053	2	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Re<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<6>,1|H<1>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.8617	1.162	31	104.9755	0.782	59	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Re<7>,1|B<3>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<7>,1|H<1>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(H){1|B<3>,1|H<1>}	104.1860	0.000	1	104.9755	0.782	59	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Re<7>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<7>,1|H<1>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.1296	0.314	25	104.9755	0.782	59	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Re<9>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<9>,1|H<1>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.2095	0.882	2	104.9755	0.782	59	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<4>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.9237	0.071	3	104.9195	0.543	28	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<5>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.6410	0.339	5	104.9195	0.543	28	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<6>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.9673	0.459	13	104.9195	0.543	28	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<7>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<7>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.0745	1.488	6	104.9195	0.543	28	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<8>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.7490	0.000	1	104.9195	0.543	28	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|B<3>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<6>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|B<3>,1|H<1>}	104.9162	0.602	5	105.0749	0.532	279	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<6>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.0783	0.736	252	105.0749	0.532	279	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<7>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<7>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.1669	0.909	12	105.0749	0.532	279	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<8>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.9130	0.372	3	105.0749	0.532	279	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<9>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.9779	0.365	7	105.0749	0.532	279	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Sc)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Sc<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Sc<8>,1|H<1>}	C[5](N[5]N[5]Sc)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.3702	0.914	4	104.3702	0.835	4	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Sr)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Sr<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Sr<6>,1|H<1>}	C[5](N[5]N[5]Sr)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	103.7777	0.821	12	103.7777	0.673	12	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ti<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ti<6>,1|H<1>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.8128	0.537	15	104.8128	0.289	15	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Zn<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Zn<4>,1|H<1>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.0707	0.316	19	104.9306	0.145	28	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Zn<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Zn<6>,1|H<1>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.6349	0.343	9	104.9306	0.145	28	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](N[5]N[5]Zr)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Zr<11>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Zr<11>,1|H<1>}	C[5](N[5]N[5]Zr)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.7795	0.152	2	104.7795	0.023	2	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ce)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ce<15>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ce<15>,1|H<1>}	C[5](N[5]N[5]Ce)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	106.0073	1.424	3	106.0073	2.027	3	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<5>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	106.0433	1.129	3	105.6369	0.367	47	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.5655	0.112	2	105.6369	0.367	47	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.7286	0.637	30	105.6369	0.367	47	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<7>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<7>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.3178	0.231	12	105.6369	0.367	47	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cr<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cr<6>,1|H<1>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	104.3610	1.122	3	104.3610	1.258	3	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.5318	0.841	15	105.4113	0.352	46	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.3530	0.431	31	105.4113	0.352	46	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<4>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	104.6320	0.000	1	105.8408	0.373	52	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.8645	0.592	51	105.8408	0.373	52	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<4>,1|H<1>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	104.8110	0.081	2	105.5143	0.304	18	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.6397	0.571	10	105.5143	0.304	18	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<8>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<8>,1|H<1>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.5397	0.466	6	105.5143	0.304	18	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mg<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mg<6>,1|H<1>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.0250	0.395	2	105.0250	0.156	2	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|H<1>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.4901	0.538	28	105.4901	0.289	28	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mo<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mo<6>,1|H<1>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.7630	0.375	2	105.7630	0.140	2	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<4>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<4>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.2300	0.000	1	105.4158	0.169	27	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<4>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.1430	0.000	1	105.4158	0.169	27	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.3523	0.474	12	105.4158	0.169	27	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.5097	0.372	13	105.4158	0.169	27	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Os<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Os<6>,1|H<1>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	103.8847	0.911	8	103.8847	0.830	8	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.4194	0.972	27	105.4194	0.945	27	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pt<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|H<1>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	106.0232	0.526	11	105.7347	0.358	17	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pt<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<6>,1|H<1>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.2058	0.273	6	105.7347	0.358	17	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.2010	0.000	1	105.7907	0.359	51	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.8025	0.599	50	105.7907	0.359	51	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<4>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.2258	0.518	8	105.3747	0.206	16	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.0140	0.000	1	105.3747	0.206	16	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.6564	0.350	5	105.3747	0.206	16	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<8>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<8>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.4465	0.081	2	105.3747	0.206	16	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.6563	0.538	26	105.7080	0.242	52	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<8>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<8>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.1040	0.433	3	105.7080	0.242	52	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<8>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<8>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	106.0726	0.323	5	105.7080	0.242	52	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.7821	0.372	18	105.7080	0.242	52	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Sr)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Sr<10>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Sr<10>,1|H<1>}	C[5](N[5]N[5]Sr)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.2378	0.357	6	105.2378	0.128	6	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Tc)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Tc<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Tc<6>,1|H<1>}	C[5](N[5]N[5]Tc)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.6760	0.255	2	105.6760	0.065	2	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Zn<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|H<1>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.2470	0.071	3	105.1125	0.076	4	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Zn<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<6>,1|H<1>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	104.7090	0.000	1	105.1125	0.076	4	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Be)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Be<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Be<4>,1|H<1>}	C[5](N[5]N[5]Be)(C[5]C[5]H)(H){2|H<1>}	105.1500	0.000	1	105.1500	0.000	1	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cd<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cd<6>,1|H<1>}	C[5](N[5]N[5]Cd)(C[5]C[5]H)(H){2|H<1>}	105.1850	0.000	1	105.1850	0.000	1	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<4>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){2|H<1>}	105.5635	0.303	2	105.9012	0.834	6	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<5>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){2|H<1>}	105.2310	0.000	1	105.9012	0.834	6	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cu<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<6>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){2|H<1>}	106.3497	1.183	3	105.9012	0.834	6	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Fe<5>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){2|H<1>}	107.4320	0.000	1	106.5895	1.420	2	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Fe<6>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){2|H<1>}	105.7470	0.000	1	106.5895	1.420	2	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ir<6>,1|H<1>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){2|H<1>}	104.9830	0.102	2	104.9830	0.010	2	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mn<6>,1|H<1>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){2|H<1>}	105.3635	0.193	2	105.6687	0.298	3	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mn<8>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mn<8>,1|H<1>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){2|H<1>}	106.2790	0.000	1	105.6687	0.298	3	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mo<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mo<6>,1|H<1>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H){2|H<1>}	105.2380	0.226	2	105.2337	0.026	3	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mo<7>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mo<7>,1|H<1>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H){2|H<1>}	105.2250	0.000	1	105.2337	0.026	3	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ni<4>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){2|H<1>}	107.0090	1.296	3	105.7618	1.038	22	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ni<6>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){2|H<1>}	105.5649	0.851	19	105.7618	1.038	22	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Os<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Os<6>,1|H<1>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(H){2|H<1>}	105.3729	0.395	10	105.3729	0.156	10	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pd<4>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){2|H<1>}	105.5239	0.444	13	105.5239	0.198	13	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pt<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pt<4>,1|H<1>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H){2|H<1>}	105.6826	1.738	14	105.7027	2.811	15	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pt<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pt<6>,1|H<1>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H){2|H<1>}	105.9850	0.000	1	105.7027	2.811	15	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Re<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Re<6>,1|H<1>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(H){2|H<1>}	104.4835	1.172	2	104.4835	1.373	2	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Rh<4>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){2|H<1>}	105.0940	0.122	2	105.3957	0.142	9	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Rh<6>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){2|H<1>}	105.4819	0.384	7	105.3957	0.142	9	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ru<5>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){2|H<1>}	105.3480	0.642	2	105.3803	0.366	23	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ru<6>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){2|H<1>}	105.3833	0.618	21	105.3803	0.366	23	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Sn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Sn<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Sn<6>,1|H<1>}	C[5](N[5]N[5]Sn)(C[5]C[5]H)(H){2|H<1>}	105.4820	0.188	2	105.4820	0.035	2	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Zn<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Zn<4>,1|H<1>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){2|H<1>}	104.8618	0.578	4	104.8618	0.334	4	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]P)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|P<3>}	C[5](C[5]C[5]H)(N[5]N[5]P)(H){1|Cu<4>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|H<1>,1|P<3>}	105.5140	0.612	3	105.5140	0.374	3	105.1557	0.574	1578	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]2)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]2)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	108.9090	0.428	4	108.9090	0.184	4	108.9090	0.184	4	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]H)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	C[5](C[5]N[5,5]H)2(H){2|B<4>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	105.6533	0.531	6	105.6533	0.282	6	105.6533	0.282	6	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:C[5]-3:H-1:	C[5](C[5]N[5,5a]H)2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H)	C[5](C[5]N[5,5a]H)2(H){2|B<4>}	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	105.3853	0.201	6	105.3853	0.040	6	105.3853	0.040	6	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6,6]H)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H)	C[5](C[5]N[5,6,6]H)2(H){2|B<4>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	105.7920	0.149	3	105.7932	0.048	5	105.7932	0.048	5	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6,6]H)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H)	C[5](C[5]N[5,6,6]H)2(H){2|B<4>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H){1|B<4>,2|H<1>,2|N<3>}	105.7950	0.386	2	105.7932	0.048	5	105.7932	0.048	5	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](C[5]N[5,6]H)2(H){1|B<4>,1|C<3>}	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|H<1>,1|N<3>,3|C<3>}	105.8836	0.174	5	105.8836	0.030	5	105.4467	0.421	21	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](C[5]N[5,6]H)2(H){2|B<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	104.7360	0.025	2	105.1703	0.168	15	105.4467	0.421	21	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](C[5]N[5,6]H)2(H){2|B<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	105.1204	0.358	7	105.1703	0.168	15	105.4467	0.421	21	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](C[5]N[5,6]H)2(H){2|B<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|H<1>,1|O<2>,2|N<3>}	105.0345	0.250	2	105.1703	0.168	15	105.4467	0.421	21	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](C[5]N[5,6]H)2(H){2|B<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|H<1>,3|N<3>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|H<1>,3|N<3>}	105.3050	0.556	2	105.1703	0.168	15	105.4467	0.421	21	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](C[5]N[5,6]H)2(H){2|B<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,2|H<1>,2|N<3>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,2|H<1>,2|N<3>}	105.7800	0.014	2	105.1703	0.168	15	105.4467	0.421	21	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]H)(H)	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H)	C[5](C[5]N[5,6]H)2(H){2|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	107.4080	0.000	1	107.4080	0.000	1	105.4467	0.421	21	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:O-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]H)(O)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(H){1|B<4>,1|C<3>}	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	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>}	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[6a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]N[5]H)2(H){1|B<4>,1|H<1>}	C[5](N[5]B[6a]N[5])(C[5]C[5]H)(H){1|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|B<4>,1|H<1>}	105.6460	0.000	1	105.6460	0.000	1	105.7715	0.032	2	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)2(H){1|C<3>,1|C<4>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|C<3>,1|H<1>}	105.8970	0.000	1	105.8970	0.000	1	105.7715	0.032	2	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|B<4>}	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.1285	0.685	2	105.1285	0.469	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mg<6>,1|B<4>}	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H){1|Mg<6>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.7425	0.187	2	104.7425	0.035	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|B<4>}	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.0035	0.299	2	105.0035	0.089	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<8>,1|B<4>}	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H){1|Ru<8>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.2177	0.326	6	105.4524	0.280	8	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|B<4>}	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H){1|Ru<9>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	106.1565	0.327	2	105.4524	0.280	8	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<4>,1|B<4>}	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Co<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.9680	0.290	2	104.9680	0.084	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Li<4>,1|B<4>}	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Li<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.0105	0.257	4	104.0105	0.066	4	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mg<5>,1|B<4>}	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Mg<5>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.7525	0.407	2	104.6055	0.099	4	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mg<6>,1|B<4>}	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Mg<6>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.4585	0.210	2	104.6055	0.099	4	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|B<4>}	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.1740	0.167	2	104.1740	0.028	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<4>,1|B<4>}	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	104.7040	0.151	2	104.7040	0.023	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|B<4>}	C[5](N[5]B[6]N[5])(C[5]C[5]H)(H){1|Ru<9>,1|C<3>,1|H<1>,1|O<2>,1|O<3>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|B<4>,1|H<1>}	105.1250	0.190	2	105.1250	0.036	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.4616	0.218	5	105.4616	0.048	5	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.6105	0.275	2	105.6105	0.076	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.9088	0.609	225	105.9088	0.371	225	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	106.4250	0.000	1	106.4250	0.000	1	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Mn<8>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Mn<8>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.5260	0.000	1	105.5260	0.000	1	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.3978	0.710	4	105.3978	0.504	4	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.6915	1.155	2	105.7460	0.676	3	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.8550	0.000	1	105.7460	0.676	3	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	106.4100	0.057	2	106.4100	0.003	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Rh<6>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.8960	0.416	2	105.8960	0.173	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.8380	0.721	4	106.0060	0.238	9	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	106.2790	0.120	2	106.0060	0.238	9	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ru<9>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	106.0480	0.181	3	106.0060	0.238	9	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Zn<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.7225	0.073	2	105.5105	0.036	8	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Zn<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.4398	0.159	6	105.5105	0.036	8	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Al)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Al<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Al<4>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Al)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.6590	0.000	1	105.6590	0.000	1	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	104.9985	0.449	2	105.1710	0.190	3	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Co<9>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Co<9>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.5160	0.000	1	105.1710	0.190	3	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.0650	0.000	1	105.0650	0.000	1	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<4>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	104.9680	0.000	1	105.9920	1.074	130	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	106.0270	1.036	122	105.9920	1.074	130	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<8>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<8>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.5281	0.990	7	105.9920	1.074	130	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.2122	0.458	18	105.2122	0.210	18	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.6409	0.900	18	105.6409	0.810	18	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Re<6>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.3106	0.204	5	105.3106	0.042	5	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Rh<4>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.4180	0.000	1	105.6295	0.168	27	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Rh<6>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.5217	0.321	16	105.6295	0.168	27	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Rh<8>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Rh<8>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.8230	0.496	10	105.6295	0.168	27	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.7558	0.370	6	105.7558	0.137	6	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ti<6>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ti<6>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.3010	0.242	2	105.3010	0.058	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Zn<5>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Zn<5>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.8150	0.000	1	105.8150	0.000	1	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<5>,1|Fe<6>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|Fe<5>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|Fe<6>,1|H<1>}	104.9948	0.574	12	104.9948	0.329	12	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|Mn<5>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|Mn<5>,1|H<1>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){1|Fe<6>,1|H<1>}	104.2685	0.292	2	104.2685	0.085	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){2|Ir<6>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|Ir<6>,1|H<1>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|Ir<6>,1|H<1>}	104.8120	0.216	4	104.8120	0.047	4	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ir<5>,1|Os<8>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|Os<8>,1|H<1>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(H){1|Ir<5>,1|H<1>}	106.4865	0.630	2	106.4865	0.397	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){2|Mn<6>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){1|Mn<6>,1|H<1>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){1|Mn<6>,1|H<1>}	103.4975	0.745	4	103.4975	0.555	4	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ni<4>,1|Ni<6>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|Ni<4>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|Ni<6>,1|H<1>}	104.6700	0.000	1	104.6700	0.000	1	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){2|Os<6>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(H){1|Os<6>,1|H<1>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(H){1|Os<6>,1|H<1>}	105.0327	1.094	4	105.0327	1.196	4	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Os<9>,1|Rh<4>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(H){1|Rh<4>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|Os<9>,1|H<1>}	105.0033	0.549	4	105.0033	0.302	4	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){2|Pd<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|Pd<4>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|Pd<4>,1|H<1>}	105.0434	0.575	26	105.0434	0.331	26	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|Pt<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|Pt<4>,1|H<1>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H){1|Pd<4>,1|H<1>}	104.4455	0.233	2	104.4455	0.054	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){2|Pt<4>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H){1|Pt<4>,1|H<1>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H){1|Pt<4>,1|H<1>}	106.9160	0.000	1	106.9160	0.000	1	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){2|Re<6>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(H){1|Re<6>,1|H<1>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(H){1|Re<6>,1|H<1>}	105.1890	0.147	2	105.1890	0.022	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){2|Rh<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|Rh<4>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|Rh<4>,1|H<1>}	105.2175	0.862	2	105.0443	0.854	6	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){2|Rh<5>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|Rh<5>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|Rh<5>,1|H<1>}	105.3745	0.436	2	105.0443	0.854	6	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){2|Rh<6>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|Rh<6>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(H){1|Rh<6>,1|H<1>}	104.5410	1.598	2	105.0443	0.854	6	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){2|Ru<6>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|Ru<6>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|Ru<6>,1|H<1>}	104.5697	0.674	15	104.5697	0.454	15	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ti<10>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H){1|H<1>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H){1|H<1>}	105.6335	0.090	2	105.5282	0.022	4	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){1|Ti<9>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H){1|H<1>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H){1|H<1>}	105.4230	0.122	2	105.5282	0.022	4	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H){2|Zn<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|Zn<4>,1|H<1>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|Zn<4>,1|H<1>}	104.5490	0.791	2	104.5490	0.625	2	105.6541	0.709	595	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[4]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	C[5](N[5]C[4]C[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	109.1172	0.692	4	109.1172	0.478	4	109.1371	0.154	61	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	109.7400	0.414	2	109.7400	0.172	2	109.1371	0.154	61	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5a]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	109.4265	0.110	2	109.4265	0.012	2	109.1371	0.154	61	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|O<1>}	109.6280	0.000	1	109.6280	0.000	1	109.1371	0.154	61	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	109.0949	0.354	52	109.0949	0.126	52	109.1371	0.154	61	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:I-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(I)	C[5](C[5]C[5]I)(N[5]N[5]B)(H)	C[5](C[5]C[5]I)(N[5]N[5]B)(H)	C[5](C[5]N[5]H)2(I){2|B<4>}	C[5](C[5]C[5]I)(N[5]N[5]B)(H){1|B<4>,1|H<1>}	C[5](C[5]C[5]I)(N[5]N[5]B)(H){1|B<4>,1|H<1>}	105.0210	2.190	3	105.0210	4.795	3	104.8560	3.306	4	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:I-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(I)	C[5](C[5]C[5]I)(N[5]N[5]H)(H)	C[5](C[5]C[5]I)(N[5]N[5]B)(H)	C[5](C[5]N[5]H)2(I){1|B<4>,1|H<1>}	C[5](C[5]C[5]I)(N[5]N[5]H)(H){1|B<4>,1|H<1>}	C[5](C[5]C[5]I)(N[5]N[5]B)(H){2|H<1>}	104.3610	0.000	1	104.3610	0.000	1	104.8560	3.306	4	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:I-1:	N[5,6,6a]-3:C[5]-3:H-1:	N[5,6,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6,6a]H)2(I)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]I)(H)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]I)(H)	C[5](C[5]N[5,6,6a]H)2(I){2|B<4>}	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]I)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]I)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	106.4675	0.101	2	106.4675	0.010	2	106.4675	0.010	2	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(O)	C[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]H)2(O){2|O<2>}	C[5](C[5]C[5]O)2(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]O)2(H){1|H<1>,1|O<2>}	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)2(O)	C[5](C[5]C[5]O)2(O)	C[5](C[5]C[5]O)2(O)	C[5](C[5]C[5]O)2(O){2|O<1>}	C[5](C[5]C[5]O)2(O){2|O<1>}	C[5](C[5]C[5]O)2(O){2|O<1>}	107.9249	0.683	16	107.9249	0.466	16	107.9249	0.466	16	105.7448	2.227	2874	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|C<2>,1|C<4>,2|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	107.2370	0.000	1	107.2370	0.000	1	107.3740	0.038	2	107.2142	2.215	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|C<2>,1|C<4>,2|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	107.5110	0.000	1	107.5110	0.000	1	107.3740	0.038	2	107.2142	2.215	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:N-2:	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(NC[5a])	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Cu<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<4>,1|N<2>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(NC[5a]){2|H<1>}	105.2510	0.000	1	105.2510	0.000	1	105.2510	0.000	1	107.2142	2.215	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:Se-2:	C[5](C[5]C[5]Se)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(SeC[6a])	C[5](C[5]C[5]Se)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|Se<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(SeC[6a]){1|C<3>,1|O<1>}	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	107.2142	2.215	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]H)(C[5]N[5]N)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]H)(H)	C[5](C[5]C[5]Br)(N[5]N[5]H)(NHH)	C[5](C[5]N[5]H)(C[5]N[5]N)(Br){2|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]Br)(N[5]N[5]H)(NHH){2|H<1>}	107.3860	0.000	1	107.3860	0.000	1	107.3860	0.000	1	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]B[5]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|B<3>,1|C<3>}	C[5](C[5]B[5]C[5])(C[5]C[5]H)(H){2|C<3>,2|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|B<3>,1|H<1>}	107.9250	0.000	1	107.9250	0.000	1	108.4259	0.320	19	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CCN)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(CCN){1|C<3>,1|H<1>}	108.9175	0.104	2	108.9175	0.011	2	108.4259	0.320	19	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(CCH){1|H<1>,1|P<4>}	108.3780	0.000	1	108.3780	0.000	1	108.4259	0.320	19	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(CCC)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(CCC){2|H<1>}	108.5860	0.253	2	108.5860	0.064	2	108.4259	0.320	19	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(CCN)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(CCN){2|H<1>}	108.5650	0.454	2	108.5650	0.206	2	108.4259	0.320	19	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(CC[6a]2)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(CC[6a]2){2|H<1>}	108.4590	0.234	4	108.4590	0.055	4	108.4259	0.320	19	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(CC[6a]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(CC[6a]H){2|H<1>}	108.3335	0.148	2	108.3335	0.022	2	108.4259	0.320	19	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(CHN)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(CHN){2|H<1>}	108.1635	1.178	4	108.1635	1.388	4	108.4259	0.320	19	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CN[5]C)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]H)2(CN[5]C){1|C<3>,1|H<1>}	108.4960	0.000	1	108.4960	0.000	1	108.4259	0.320	19	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{3|C<3>,3|H<1>}	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](S[5]C[5]Os)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Os<6>,1|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Os<6>,1|C<3>}	C[5](S[5]C[5]Os)(C[5]C[5]H)(CCH){2|H<1>}	112.4270	0.000	1	112.4270	0.000	1	112.4270	0.000	1	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	C[5](C[5]N[5]H)(C[5]N[5]N)(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){2|H<1>}	105.8480	0.201	3	105.8480	0.040	3	105.8480	0.040	3	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cd<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cd<6>,1|C<3>}	C[5](N[5]N[5]Cd)(C[5]C[5]H)(COO){2|H<1>}	103.8160	0.000	1	103.8160	0.000	1	104.5615	0.971	37	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Co<6>,1|C<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCN){2|H<1>}	104.4225	1.831	9	104.4225	3.352	9	104.5615	0.971	37	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Co<6>,1|C<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(COO){2|H<1>}	104.6135	0.465	2	104.6135	0.216	2	104.5615	0.971	37	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Fe<6>,1|C<3>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CCN){2|H<1>}	104.9340	0.267	3	104.9340	0.071	3	104.5615	0.971	37	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHN)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Fe<6>,1|C<3>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHN){2|H<1>}	104.5390	0.627	15	104.5390	0.393	15	104.5615	0.971	37	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mn<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mn<6>,1|C<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CCN){2|H<1>}	104.8793	0.236	3	104.8793	0.056	3	104.5615	0.971	37	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Zn<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Zn<6>,1|C<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCN){2|H<1>}	104.5470	0.568	3	104.5470	0.322	3	104.5615	0.971	37	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CNO)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Zn<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Zn<5>,1|C<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CNO){2|H<1>}	104.7650	0.000	1	104.7650	0.000	1	104.5615	0.971	37	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<6>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<6>,1|N<2>,2|C<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	104.8700	0.000	1	104.8700	0.000	1	104.8700	0.000	1	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N-3:	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(NHH)	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Cu<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|C<3>,2|N<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(NHH){1|C<3>,1|H<1>}	106.6480	0.000	1	106.6480	0.000	1	106.6480	0.000	1	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	107.8930	0.400	2	107.8930	0.160	2	108.3335	0.876	4	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]C)	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]C){1|C<3>,1|O<1>}	109.6940	0.000	1	109.6940	0.000	1	108.3335	0.876	4	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]S)(NC[6a]H)	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|N<3>,1|S<1>,2|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]S)(NC[6a]H){1|C<3>,1|O<1>}	107.8540	0.000	1	107.8540	0.000	1	108.3335	0.876	4	106.1844	4.601	68	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C){2|C<3>,2|H<1>}	110.0880	0.000	1	110.0880	0.000	1	110.1180	0.001	3	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<4>,2|C<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>}	110.1170	0.000	1	110.1170	0.000	1	110.1180	0.001	3	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]CC)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]CC){2|C<3>,2|H<1>}	110.1490	0.000	1	110.1490	0.000	1	110.1180	0.001	3	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CCHH){2|H<1>}	108.3885	0.416	2	108.3885	0.173	2	106.0522	3.828	6	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(CHHN)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CHHN){2|H<1>}	104.8840	0.930	4	104.8840	0.864	4	106.0522	3.828	6	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(PC[6a]3)	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)2(PC[6a]3){1|C<3>,1|H<1>}	108.2740	0.000	1	108.2740	0.000	1	107.9186	0.382	19	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(PC[6a]2P)	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)2(PC[6a]2P){1|H<1>,1|P<4>}	108.0520	0.174	2	108.0520	0.030	2	107.9186	0.382	19	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(PC[6a]3)	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)2(PC[6a]3){1|H<1>,1|P<4>}	108.4520	1.143	4	108.4520	1.306	4	107.9186	0.382	19	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(PC3)	C[5](C[5]C[5]H)(C[5]C[5]P)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)2(PC3){2|H<1>}	107.9900	0.061	2	107.9900	0.004	2	107.9186	0.382	19	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(PC[6a]2C)	C[5](C[5]C[5]H)(C[5]C[5]P)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)2(PC[6a]2C){2|H<1>}	107.6430	0.363	6	107.6430	0.132	6	107.9186	0.382	19	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(PC[6a]2N)	C[5](C[5]C[5]H)(C[5]C[5]P)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)2(PC[6a]2N){2|H<1>}	107.6075	0.192	4	107.6075	0.037	4	107.9186	0.382	19	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S-4:	C[5](C[5]C[5]H)(C[5]C[5]S)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(SC3)	C[5](C[5]C[5]H)(C[5]C[5]S)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|H<1>,1|S<4>}	C[5](C[5]C[5]H)2(SC3){2|H<1>}	109.3365	0.682	4	109.3365	0.465	4	109.3365	0.465	4	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(SiC3)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Si<4>,1|H<1>}	C[5](C[5]C[5]H)2(SiC3){2|H<1>}	109.1655	0.209	2	109.1655	0.044	2	109.1592	0.116	10	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(SiCCO)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Si<4>,1|H<1>}	C[5](C[5]C[5]H)2(SiCCO){2|H<1>}	109.0525	0.437	4	109.0525	0.191	4	109.1592	0.116	10	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(SiC3)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){1|Si<4>,1|H<1>}	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){1|Si<4>,1|H<1>}	C[5](C[5]C[5]H)2(SiC3){1|Si<4>,1|H<1>}	109.2628	0.337	4	109.2628	0.113	4	109.1592	0.116	10	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	O[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]H)(H)	C[5](O[5]C[5]Ru)(C[5]C[5]H)(CHHN)	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Ru<6>,1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]H)(H){1|Ru<6>,1|C<4>}	C[5](O[5]C[5]Ru)(C[5]C[5]H)(CHHN){2|H<1>}	106.9130	0.000	1	106.9130	0.000	1	106.9130	0.000	1	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](S[5]C[5]Ru)(C[5]C[5]H)(CHHN)	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Ru<6>,1|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Ru<6>,1|C<4>}	C[5](S[5]C[5]Ru)(C[5]C[5]H)(CHHN){2|H<1>}	113.4250	0.000	1	113.4250	0.000	1	113.9730	0.601	2	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	S[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)	C[5](S[5]C[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Cu<4>,1|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>}	C[5](S[5]C[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	114.5210	0.000	1	114.5210	0.000	1	113.9730	0.601	2	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|H<1>}	106.4052	0.539	9	106.4052	0.291	9	106.4052	0.291	9	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Co<6>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN){2|H<1>}	104.2985	0.316	2	104.2985	0.100	2	104.2985	0.100	2	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:N-4:	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(NCuHH)	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Cu<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<5>,1|N<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(NCuHH){2|H<1>}	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Ni<5>,1|N<3>,3|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|B<4>,1|H<1>}	104.8965	0.562	2	104.8810	0.159	3	105.8187	0.375	25	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Ni<5>,1|O<3>,3|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|B<4>,1|H<1>}	104.8500	0.000	1	104.8810	0.159	3	105.8187	0.375	25	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<4>,1|B<4>}	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Ni<4>,1|N<3>,3|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	106.1185	0.298	2	105.8258	0.127	5	105.8187	0.375	25	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Ni<5>,1|N<3>,3|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	105.6307	0.258	3	105.8258	0.127	5	105.8187	0.375	25	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<4>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|C<3>,1|H<1>}	105.5900	0.000	1	105.5900	0.000	1	105.8187	0.375	25	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	106.7145	0.327	2	106.7145	0.107	2	105.8187	0.375	25	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	106.0728	0.786	6	106.0728	0.617	6	105.8187	0.375	25	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHO)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHO){1|C<3>,1|H<1>}	105.6598	0.104	4	105.6598	0.011	4	105.8187	0.375	25	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Re<6>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	105.7993	0.086	3	105.7993	0.007	3	105.8187	0.375	25	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Re<6>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	106.2020	0.000	1	106.2020	0.000	1	105.8187	0.375	25	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	109.3655	0.182	2	109.3655	0.033	2	109.3655	0.033	2	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:O-1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]P)(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(PC[6a]3)	C[5](C[5]C[5]P)(C[5]N[5]O)(O){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O){1|O<1>,1|P<4>,2|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]O)(PC[6a]3){1|C<3>,1|O<1>}	105.3900	0.356	2	105.3900	0.127	2	105.3900	0.127	2	107.2936	3.790	86	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	3:4:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<3>,1|H<1>}	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-1:	C[5]-3:C[5]-3:C-1:	C[5]-4:C[5]-3:C-1:	C[5](C[5]C[5]C)2(C)	C[5](C[5]C[5]C)2(C)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(C)	C[5](C[5]C[5]C)2(C){1|Ga<3>,1|C<1>,1|C<4>}	C[5](C[5]C[5]C)2(C){1|Ga<3>,1|C<1>,1|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(C){2|C<1>}	108.9050	0.809	2	108.9050	0.654	2	108.9050	0.654	2	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:Cl-1:	S[5]-4:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl)	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl)	C[5](S[5]C[5]OO)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl){1|Cl<1>,2|O<1>}	C[5](C[5]C[5]Cl)(C[5]S[5]Cl)(Cl){1|Cl<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]Cl)(Cl){2|Cl<1>}	113.8990	0.236	2	113.8990	0.056	2	113.8990	0.056	2	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-3:Cl-1:	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O)	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl){1|P<4>,2|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O){1|Cl<1>,1|P<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl){2|C<3>,2|O<1>}	110.3855	0.360	2	110.3855	0.130	2	110.3855	0.130	2	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]AlSi)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|Al<4>,1|Si<4>,1|H<1>}	C[5](C[5]C[5]H)2(H){1|Al<4>,1|Si<4>,1|H<1>}	C[5](C[5]C[5]AlSi)(C[5]C[5]H)(H){2|H<1>}	108.6312	0.600	4	108.6312	0.360	4	108.9490	0.307	9	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]HgSi)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|Hg<2>,1|Si<4>,1|H<1>}	C[5](C[5]C[5]H)2(H){1|Hg<2>,1|Si<4>,1|H<1>}	C[5](C[5]C[5]HgSi)(C[5]C[5]H)(H){2|H<1>}	109.0630	0.292	4	109.0630	0.085	4	108.9490	0.307	9	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|C<4>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	109.7640	0.000	1	109.7640	0.000	1	108.9490	0.307	9	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]Y)(H)	C[5](C[5]N[5]CY)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Y<13>,1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]Y)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CY)(C[5]C[5]H)(H){1|H<1>}	106.4830	0.020	2	106.4170	0.018	4	106.4170	0.018	4	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]Y)(H)	C[5](C[5]N[5]CY)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Y<14>,1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]Y)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CY)(C[5]C[5]H)(H){1|H<1>}	106.2170	0.000	1	106.4170	0.018	4	106.4170	0.018	4	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]Y)(H)	C[5](C[5]N[5]CY)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Y<16>,1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]Y)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CY)(C[5]C[5]H)(H){1|H<1>}	106.4850	0.000	1	106.4170	0.018	4	106.4170	0.018	4	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]N[5]CO)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|O<2>,2|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]N[5]CO)(C[5]C[5]H)(H){1|C<4>,1|O<1>}	109.5250	0.000	1	109.5250	0.000	1	109.5250	0.000	1	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6,6]O)(C[5]N[5,6,6]H)(H)	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]H)(H)	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O)	C[5](C[5]C[5,6,6]O)(C[5]N[5,6,6]H)(H){3|C<4>}	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O){1|C<3>,2|C<4>,2|H<1>}	107.7720	0.423	2	107.7720	0.179	2	107.7720	0.179	2	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ca)(C[5]C[5]H)(H)	C[5](C[5]N[5]CaC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ca<8>,1|C<4>}	C[5](N[5]C[5]Ca)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]CaC)(C[5]C[5]H)(H){1|H<1>}	105.8230	0.000	1	105.8230	0.000	1	107.0820	0.717	4	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Hf)(C[5]C[5]H)(H)	C[5](C[5]N[5]HfP)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Hf<12>,1|P<4>}	C[5](N[5]C[5]Hf)(C[5]C[5]H)(H){1|H<1>,1|P<4>}	C[5](C[5]N[5]HfP)(C[5]C[5]H)(H){1|H<1>}	107.5017	0.137	3	107.5017	0.019	3	107.0820	0.717	4	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){2|H<1>,3|C<3>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	109.1310	0.000	1	109.1310	0.000	1	109.1310	0.000	1	108.7080	3.845	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:2:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-2:	C[5](C[5]C[5]S)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(N[5]C[5]C)(O)	C[5](C[5]N[5]HO)(C[5]C[5]Br)(SC[6a])	C[5](C[5]C[5]S)(C[5]N[5]O)(Br){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]Br)(N[5]C[5]C)(O){1|H<1>,1|O<2>,1|S<2>}	C[5](C[5]N[5]HO)(C[5]C[5]Br)(SC[6a]){1|C<4>,1|O<1>}	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	109.2224	2.172	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:2:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-2:	C[5](C[5]C[5]S)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	C[5](C[5]N[5]HO)(C[5]C[5]Cl)(SC[6a])	C[5](C[5]C[5]S)(C[5]N[5]O)(Cl){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|H<1>,1|O<2>,1|S<2>}	C[5](C[5]N[5]HO)(C[5]C[5]Cl)(SC[6a]){1|C<4>,1|O<1>}	110.6707	0.201	3	110.6707	0.040	3	110.6707	0.040	3	109.2224	2.172	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC)	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC){1|C<3>,1|O<1>}	108.5680	0.000	1	108.2585	0.192	2	108.2585	0.192	2	109.2224	2.172	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC)	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC){1|C<4>,1|O<1>}	107.9490	0.000	1	108.2585	0.192	2	108.2585	0.192	2	109.2224	2.172	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:2:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<2>,1|S<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|C<4>,1|O<1>,1|S<3>,2|H<1>}	106.9470	0.000	1	107.5360	0.694	2	107.9147	0.777	3	109.2224	2.172	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:2:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	108.1250	0.000	1	107.5360	0.694	2	107.9147	0.777	3	109.2224	2.172	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:2:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]H)(OC)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|O<2>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]H)(OC){1|O<1>,2|C<4>}	108.6720	0.000	1	108.6720	0.000	1	107.9147	0.777	3	109.2224	2.172	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(O)	C[5](C[5]N[5]CH)(C[5]C[5]H)(NCH)	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(NCH){1|H<1>,1|O<1>}	107.9870	0.182	2	107.9870	0.033	2	107.9870	0.033	2	107.2775	0.799	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(O){3|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){2|H<1>}	106.1500	0.000	1	106.1500	0.000	1	106.5680	0.349	2	107.2775	0.799	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCN)	C[5](C[5]C[5]C)(C[5]C[5]H)(O){1|O<2>,2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCN){2|H<1>}	106.9860	0.000	1	106.9860	0.000	1	106.5680	0.349	2	107.2775	0.799	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]RuH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Ru<8>,2|H<1>}	C[5](C[5]C[5]H)2(H){1|Ru<8>,1|C<4>,1|H<1>}	C[5](C[5]C[5]RuH)(C[5]C[5]H)(CC3){2|H<1>}	109.1765	0.530	2	109.1765	0.281	2	109.1965	0.097	4	109.5532	0.368	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]RuH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Ru<8>,2|H<1>}	C[5](C[5]C[5]H)2(H){1|Ru<8>,1|C<4>,1|H<1>}	C[5](C[5]C[5]RuH)(C[5]C[5]H)(CCHH){2|H<1>}	109.2165	0.091	2	109.2165	0.008	2	109.1965	0.097	4	109.5532	0.368	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>}	110.3780	0.000	1	110.3780	0.000	1	110.2665	0.025	2	109.5532	0.368	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:1:	4:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH){1|C<3>,1|O<1>}	110.1550	0.000	1	110.1550	0.000	1	110.2665	0.025	2	109.5532	0.368	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-2:H-1:	C[5](C[5]C[5]S[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(S[5]C[5])	C[5](C[5]C[5]H)(C[5]S[5])(H)	C[5](C[5]C[5]S[5])(C[5]C[5]H)(H){1|C<3>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(S[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]S[5])(H){1|C<3>}	112.8430	0.000	1	112.8430	0.000	1	112.8430	0.000	1	118.4540	14.023	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:S[5]-2:S-1:	C[5](C[5]C[6a]S[5])(C[5]S[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]S[5])	C[5](C[5]C[5]H)(S[5]S[5])(S)	C[5](C[5]C[6a]S[5])(C[5]S[5]S)(H){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]S[5]){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(S[5]S[5])(S){1|C<3>}	120.3243	0.214	3	120.3243	0.046	3	120.3243	0.046	3	118.4540	14.023	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:2:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]O)(C[5]N[5]C)(Cl)	C[5](C[5]C[5a]N[5])(C[5]C[5]Cl)(OC)	C[5](C[5]C[5]Cl)(N[5]C[5])(CCH)	C[5](C[5]C[5]O)(C[5]N[5]C)(Cl){1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]Cl)(OC){1|N<3>,2|C<3>}	C[5](C[5]C[5]Cl)(N[5]C[5])(CCH){1|C<3>,1|O<2>}	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	107.4525	7.133	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:2:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5]H)(N[5]N[5])(CNO)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<3>,1|N<2>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|H<1>,3|C<3>}	C[5](C[5]C[5]H)(N[5]N[5])(CNO){1|C<3>}	105.5640	0.000	1	105.5640	0.000	1	105.5640	0.000	1	107.4525	7.133	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]N[5]C)(Br)	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5])	C[5](C[5]C[5]Br)(C[5]N[5]C)(Br)	C[5](C[5]C[5]Br)(C[5]N[5]C)(Br){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5]){1|Br<1>,1|C<3>}	C[5](C[5]C[5]Br)(C[5]N[5]C)(Br){1|C<3>}	107.8535	0.636	2	107.8535	0.404	2	107.9552	0.333	5	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]N[5]C)(Br)	C[5](CC[6a]C[5])(C[5]C[5]Br)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(Br)	C[5](C[5]C[5]Br)(C[5]N[5]C)(Br){1|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]Br)(N[5]C[5]){1|Br<1>,1|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(Br){1|N<2>,2|C<3>}	108.4080	0.075	2	108.4080	0.006	2	107.9552	0.333	5	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]N[5]C)(Br)	C[5](CC[6a]C[5])(C[5]C[5]Br)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]Br)(Br)	C[5](C[5]C[5]Br)(C[5]N[5]C)(Br){1|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]Br)(N[5]C[5]){1|Br<1>,1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]Br)(Br){1|N<3>,2|C<3>}	107.2530	0.000	1	107.2530	0.000	1	107.9552	0.333	5	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(Br)	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5])	C[5](C[5]C[5]Br)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(Br){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]Br)(C[5]N[5]C)(H){1|C<3>}	107.4425	0.138	6	107.4425	0.019	6	107.4425	0.019	6	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(Br)	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(N[5]C[5])	C[5](C[5]C[5]Br)(C[5]N[5]C)(Br)	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(Br){1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]Br)(N[5]C[5]){2|Br<1>,3|C<3>}	C[5](C[5]C[5]Br)(C[5]N[5]C)(Br){1|C<3>}	107.9750	0.042	2	107.9750	0.002	2	107.9750	0.002	2	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:O-2:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(N[5]C[5]Pd)(OPd)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|Pd<4>,1|O<1>}	C[5](C[5]C[5]Br)(N[5]C[5]Pd)(OPd){1|Br<1>,1|O<1>}	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|Pd<4>,1|O<2>}	107.1680	0.069	2	107.1680	0.005	2	107.1680	0.005	2	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]Br)(Br)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5])	C[5](C[5]C[5]Br)(C[5]N[5]C)(Br)	C[5](C[5]C[5a]N[5])(C[5]C[5]Br)(Br){1|N<3>,2|C<3>}	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[5](C[5]C[5]Br)(C[5]N[5]C)(Br){1|C<3>}	106.1750	0.000	1	106.1750	0.000	1	106.1750	0.000	1	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]N[5]C)(Cl)	C[5](CC[5a]C[6a])(C[5]C[5]Cl)(N[5]C[5])	C[5](C[5]C[5]Cl)(C[5]N[5]C)(Cl)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(Cl){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]Cl)(N[5]C[5]){1|Cl<1>,1|C<3>}	C[5](C[5]C[5]Cl)(C[5]N[5]C)(Cl){1|C<3>}	106.9928	0.280	4	106.9928	0.078	4	106.9928	0.078	4	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(Cl)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Cl)(N[5]C[5])	C[5](C[5]C[5]Cl)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(Cl){1|N<3>,2|C<3>}	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[5](C[5]C[5]Cl)(C[5]N[5]C)(H){1|C<3>}	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	N[5]-3:C[5]-3:S-2:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]S)(Cl)	C[5](N[5]C[6a]C[5])(C[5]C[5]Cl)(SC)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]S)(Cl){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]Cl)(SC){1|O<1>,3|C<3>}	C[5](C[5]C[5]Cl)(C[5]N[5]C)(O){1|C<3>,1|S<2>}	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:F-1:	C[6]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:F-1:	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])	C[5](C[5]C[5]F)(C[5]N[5]H)(F)	C[5](C[5]C[6]N[5])(C[5]C[5]F)(F){1|C<3>,1|H<1>,1|O<2>}	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[5](C[5]C[5]F)(C[5]N[5]H)(F){1|C<3>}	106.8455	0.083	2	106.8455	0.007	2	106.8455	0.007	2	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	B[5]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]B[5])(C[5]C[5]H)(H)	C[5](B[5]O[5]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]Si)(C[5]C[5]H)(H)	C[5](C[5]Se[5]B[5])(C[5]C[5]H)(H){1|Si<4>,2|O<2>}	C[5](B[5]O[5]2)(C[5]C[5]H)(Se[5]C[5]){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]Se[5]Si)(C[5]C[5]H)(H){1|B<3>}	115.6950	0.000	1	116.0075	0.195	2	116.0075	0.195	2	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	B[5]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]B[5])(C[5]C[5]H)(H)	C[5](B[5]O[5]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]Si)(C[5]C[5]H)(H)	C[5](C[5]Se[5]B[5])(C[5]C[5]H)(H){1|Si<4>,2|O<2>}	C[5](B[5]O[5]2)(C[5]C[5]H)(Se[5]C[5]){1|Si<4>,1|H<1>,2|C<4>}	C[5](C[5]Se[5]Si)(C[5]C[5]H)(H){1|B<3>}	116.3200	0.000	1	116.0075	0.195	2	116.0075	0.195	2	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(Br)	C[5](C[5]C[5]Br)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Br<1>,1|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(Br){1|C<3>}	106.1033	0.358	6	106.1033	0.128	6	106.1033	0.128	6	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(Cl)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Cl<1>,1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(Cl){1|N<3>,2|C<3>}	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5]C[6])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5]C[6])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.4442	0.718	4	107.4442	0.516	4	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]B[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]B[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.1960	0.000	1	107.1960	0.000	1	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.5467	0.801	3	107.4995	0.437	4	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.3580	0.000	1	107.4995	0.437	4	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|O<2>}	C[5](CC[5a]C[5])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|O<2>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>}	107.3810	0.000	1	107.3810	0.000	1	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.4567	0.860	8	107.4567	0.740	8	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	108.9730	0.000	1	108.9730	0.000	1	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]2)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|N<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(C[5]N[5]2)(H){3|C<3>}	107.1070	0.000	1	107.1070	0.000	1	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.9184	0.617	386	106.9145	0.378	395	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.7486	0.491	9	106.9145	0.378	395	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>}	107.0305	0.595	13	107.0305	0.354	13	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|N<2>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>}	C[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<3>}	106.7820	0.242	3	106.7447	0.443	12	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|N<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<3>}	106.7323	0.771	9	106.7447	0.443	12	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|O<2>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|O<2>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>}	106.8364	0.203	10	106.8364	0.041	10	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|S<2>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|S<2>}	C[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>}	107.2320	0.573	6	107.2320	0.328	6	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|N<2>,2|C<3>}	106.4930	0.372	6	106.4930	0.138	6	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	107.0214	0.463	23	107.1206	0.339	25	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){3|C<3>}	108.2610	0.758	2	107.1206	0.339	25	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){3|C<3>}	107.5440	0.000	1	107.0450	0.498	2	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>}	106.5460	0.000	1	107.0450	0.498	2	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	107.1397	0.558	20	107.1397	0.311	20	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]N[5]Br)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Br<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Br<1>,1|H<1>}	C[5](C[5]N[5]Br)(C[5]C[5]H)(H){1|C<3>}	106.6085	0.874	4	106.6085	0.764	4	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]N[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|N<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>}	C[5](C[5]N[5a]N[5])(C[5]C[5]H)(H){3|C<3>}	107.3030	0.000	1	107.3030	0.000	1	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.2484	1.046	66	107.2256	1.037	73	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.0107	0.723	7	107.2256	1.037	73	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>}	107.4050	0.000	1	107.4050	0.000	1	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	107.7268	0.941	11	107.7268	0.886	11	106.9998	0.491	599	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|C<3>}	116.4460	0.267	2	116.4460	0.071	2	116.5883	0.196	6	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H)	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H){1|Se<2>,2|C<3>}	116.6595	0.532	4	116.6595	0.283	4	116.5883	0.196	6	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<2>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC){2|H<1>}	C[5](C[5]C[5]H)2(H){2|C<2>}	108.2132	0.800	6	108.2132	0.640	6	108.2132	0.640	6	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]C)(C[5]C[5]I)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)(C[5]C[5]H)(I)	C[5](C[5]C[5]C)(C[5]C[5]I)(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC){1|C<3>,1|I<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(I){1|C<2>,1|C<3>}	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	107.2305	0.166	2	107.2305	0.028	2	106.5982	0.302	9	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.3150	0.000	1	106.4176	0.226	7	106.5982	0.302	9	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.2680	0.289	6	106.4176	0.226	7	106.5982	0.302	9	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|O<2>}	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(OC)	C[5](C[5]C[5]H)2(O)	C[5](C[5]C[5]O)2(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]H)(C[5]C[5]O)(OC){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)2(O){2|O<2>}	107.2960	0.133	2	107.2960	0.018	2	107.2960	0.018	2	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]S[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]O[5])(C[5]C[5]H)(S[5]C[5])	C[5](C[5]C[5]H)(C[5]S[5]O)(H)	C[5](C[5]C[5]S[5])(C[5]C[5]H)(H){1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]N[5]O[5])(C[5]C[5]H)(S[5]C[5]){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]O)(H){1|C<3>}	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]Se[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]H)(C[5]C[5]H)(H)	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H){1|Se<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5,5]Se[5])(C[5]C[5]H)(Se[5]C[5]){2|Se<2>,1|C<3>,2|H<1>}	C[5](C[5]Se[5]H)(C[5]C[5]H)(H){1|C<3>}	115.4720	0.000	1	115.4720	0.000	1	116.3460	0.710	9	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H)	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H){1|Se<2>,2|C<3>}	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){3|C<3>}	115.7090	0.289	4	115.7090	0.084	4	116.3460	0.710	9	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H)	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H){1|Se<2>,2|C<3>}	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|C<3>}	117.2015	0.194	4	117.2015	0.038	4	116.3460	0.710	9	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	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])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){3|C<3>}	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[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.1820	0.000	1	107.1820	0.000	1	107.2875	0.022	2	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	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])	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|C<4>,2|C<3>}	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[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	107.3930	0.000	1	107.3930	0.000	1	107.2875	0.022	2	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]2)(H)	C[5](C[5]C[5]H)(N[5]C[5]2)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]2)(H){3|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]2)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|N<3>}	105.3030	0.000	1	105.3030	0.000	1	105.3030	0.000	1	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a,5a]C[5a,6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){3|C<3>}	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[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.6675	0.793	2	106.6675	0.628	2	106.4923	0.470	41	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>}	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[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.0040	0.000	1	106.3671	0.430	32	106.4923	0.470	41	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	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[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.2650	0.045	2	106.3671	0.430	32	106.4923	0.470	41	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	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[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.9930	0.000	1	106.3671	0.430	32	106.4923	0.470	41	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	105.7059	0.290	7	106.3671	0.430	32	106.4923	0.470	41	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.4419	0.513	21	106.3671	0.430	32	106.4923	0.470	41	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<4>,2|C<3>}	106.2755	0.105	2	106.2755	0.011	2	106.4923	0.470	41	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|C<4>,2|C<3>}	106.6620	0.000	1	106.6620	0.000	1	106.4923	0.470	41	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	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[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.2630	0.334	2	107.3897	0.104	3	106.4923	0.470	41	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	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[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.6430	0.000	1	107.3897	0.104	3	106.4923	0.470	41	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	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[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.7200	0.000	1	107.7200	0.000	1	106.4923	0.470	41	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]Se)(C[5]C[5]H)(H)	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H){1|Se<2>,1|C<3>,1|O<2>}	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[5](C[5]Se[5]Se)(C[5]C[5]H)(H){1|C<3>}	115.4330	0.721	2	115.4330	0.520	2	115.8347	0.396	4	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|S<2>}	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[5](C[5]Se[5]H)(C[5]C[5]H)(H){1|C<3>}	116.2365	0.153	2	116.2365	0.024	2	115.8347	0.396	4	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.4420	0.000	1	107.4420	0.000	1	107.0105	0.506	31	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.6060	0.194	5	106.6060	0.038	5	107.0105	0.506	31	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.4300	1.233	2	107.1287	0.629	22	107.0105	0.506	31	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|H<1>,5|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.3930	0.000	1	107.1287	0.629	22	107.0105	0.506	31	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	107.1357	0.780	19	107.1287	0.629	22	107.0105	0.506	31	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|N<2>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	106.6743	0.297	3	106.6743	0.088	3	107.0105	0.506	31	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]Se[5]H)(C[5]C[5]H)(H){1|C<3>}	113.7215	0.329	2	113.7215	0.108	2	115.5430	1.909	22	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){3|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){3|C<3>}	116.4107	0.449	4	116.4107	0.202	4	115.5430	1.909	22	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]Se[5]H)(C[5]C[5]H)(H){1|C<3>}	112.9940	2.997	2	112.9940	8.980	2	115.5430	1.909	22	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){3|C<3>}	116.0227	0.295	6	116.0227	0.087	6	115.5430	1.909	22	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(H){1|Se<2>,2|C<3>}	116.2473	0.204	4	116.2473	0.042	4	115.5430	1.909	22	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){2|C<3>,4|H<1>}	C[5](C[5]Se[5]H)(C[5]C[5]H)(H){1|C<3>}	114.0930	0.000	1	114.0930	0.000	1	115.5430	1.909	22	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|Si<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]Se[5]Si)(C[5]C[5]H)(H){1|C<3>}	116.3530	0.247	2	116.3530	0.061	2	115.5430	1.909	22	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(Se[5]C[5]){2|C<3>,3|H<1>}	C[5](C[5]Se[5]H)(C[5]C[5]H)(H){1|C<3>}	114.9490	0.000	1	114.9490	0.000	1	115.5430	1.909	22	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5a]C[5a]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5a]N[5])(C[5]C[5]H)(H){3|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|N<3>}	105.4500	0.000	1	105.4500	0.000	1	105.4500	0.000	1	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]N[6])(C[5]C[5]H)(H)	C[5](N[6]C[6,6a]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]N[6])(C[5]C[5]H)(H)	C[5](C[5]Se[5]N[6])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	C[5](N[6]C[6,6a]2)(C[5]C[5]H)(Se[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]Se[5]N[6])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	115.2745	0.182	2	115.2745	0.033	2	115.2745	0.033	2	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:I-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5])	C[5](C[5]Se[5]C)(C[5]C[5]I)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]Se[5]C)(C[5]C[5]I)(H){1|C<3>}	116.8685	0.238	2	116.6253	0.206	3	116.6253	0.206	3	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:I-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5])	C[5](C[5]Se[5]C)(C[5]C[5]I)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]Se[5]C)(C[5]C[5]I)(H){1|C<3>}	116.1390	0.000	1	116.6253	0.206	3	116.6253	0.206	3	107.5521	5.299	774	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]N[5])(C[5]C[5]O)(Cl)	C[5](C[5]C[5]N[5])(C[5]C[5]Cl)(N[5]C[5])	C[5](C[5]C[5]Cl)(C[5]N[5]C)(OC)	C[5](C[5]C[5]N[5])(C[5]C[5]O)(Cl){1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]Cl)(N[5]C[5]){1|Cl<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]Cl)(C[5]N[5]C)(OC){1|C<3>}	107.5620	0.272	2	107.5620	0.074	2	107.5620	0.074	2	106.2360	3.874	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(CC)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<2>,1|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(CC){1|C<3>}	107.1825	0.043	2	107.1825	0.002	2	107.1825	0.002	2	106.2360	3.874	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC){1|C<2>,1|C<3>}	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	106.2360	3.874	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(OC)	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(H){1|N<3>,2|C<3>}	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[5](C[5]C[5]H)(C[5]N[5]C)(OC){1|C<3>}	104.0800	0.000	2	104.0800	0.000	2	104.0800	0.000	2	106.2360	3.874	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])2(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|H<1>,3|C<3>}	106.0160	0.106	2	106.0160	0.011	2	106.0160	0.011	2	106.2360	3.874	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:O-1:	C[5,6]-3:C[5]-3:O-2:	C[5,6]-3:C[5]-3:O-2:	C[5](C[5]C[5,6]O)2(O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])	C[5](C[5]C[5,6]O)2(O){2|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5]){1|C<4>,2|C<3>,2|O<2>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5]){1|C<4>,2|C<3>,2|O<2>}	102.6790	0.000	1	102.6790	0.000	1	102.6790	0.000	1	106.2360	3.874	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN)	C[5](C[5]C[5,6a]N)2(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN){1|H<1>,1|N<2>,2|C<3>}	106.6670	0.000	1	106.6670	0.000	1	106.6670	0.000	1	106.2360	3.874	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<3>}	107.4040	0.000	1	107.4040	0.000	1	107.3260	0.012	2	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|O<2>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|O<2>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<3>}	107.2480	0.000	1	107.2480	0.000	1	107.3260	0.012	2	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]O){1|C<3>}	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(NOO)	C[5](C[5]C[5]N)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(NOO){1|C<3>}	105.7170	0.000	1	105.7170	0.000	1	105.7170	0.000	1	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C-3:C[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H){3|C<3>}	108.4910	0.342	2	108.4910	0.117	2	108.4910	0.117	2	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]N)(NCH)	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H){1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]N)(NCH){1|C<3>}	106.3010	0.000	1	106.3010	0.000	1	106.8455	0.593	2	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(NCS)	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(NCS){3|C<3>}	107.3900	0.000	1	107.3900	0.000	1	106.8455	0.593	2	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|N<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){2|H<1>,3|C<3>}	106.6090	0.000	1	107.7513	1.549	3	107.5602	1.179	4	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|N<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){2|H<1>,3|C<3>}	108.3225	1.068	2	107.7513	1.549	3	107.5602	1.179	4	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){2|N<2>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){2|H<1>,3|C<3>}	106.9870	0.000	1	106.9870	0.000	1	107.5602	1.179	4	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]C)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]C){1|C<3>}	109.0640	0.000	1	109.0640	0.000	1	108.0990	0.819	3	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]H){1|C<3>}	107.9640	0.000	1	107.9640	0.000	1	108.0990	0.819	3	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]H)(C[5]O[5]O)(CHN)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CHN){1|C<3>}	107.2690	0.000	1	107.2690	0.000	1	108.0990	0.819	3	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6a]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]N[5])	C[5](C[6a]C[6a]2)(N[5]O[5]Pd)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]C[6a]O[5])(H){1|Pd<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]O[5]Pd)(C[5]C[5]H){1|H<1>,3|C<3>}	106.2699	1.128	8	106.2699	1.271	8	106.2699	1.271	8	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6a]S[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]S[5]N)	C[5](C[5]C[6a]N[5])(C[5]C[6a]S[5])(H){1|N<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]N[5]){1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]S[5]N){2|H<1>,3|C<3>}	113.6960	0.000	1	113.6960	0.000	1	113.6960	0.000	1	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(O)	C[5](C[5]C[5]O)2(OC)	C[5](C[5]C[5]O)2(CCO)	C[5](C[5]C[5]C)(C[5]C[5]O)(O){1|O<1>,1|O<2>}	C[5](C[5]C[5]O)2(OC){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)2(CCO){2|O<2>}	106.9292	0.594	4	106.9292	0.353	4	106.9292	0.353	4	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]S[5])(C[5]C[5]C)(O)	C[5](C[5]N[5]S[5])(C[5]C[5]O)(S[5]C[5])	C[5](C[5]C[5]O)(C[5]S[5]N)(COO)	C[5](C[5]C[5]S[5])(C[5]C[5]C)(O){1|N<2>,1|N<3>,1|S<2>}	C[5](C[5]N[5]S[5])(C[5]C[5]O)(S[5]C[5]){1|N<2>,4|C<3>}	C[5](C[5]C[5]O)(C[5]S[5]N)(COO){1|C<3>}	110.6980	0.000	1	110.6980	0.000	1	110.6980	0.000	1	107.3982	3.049	29	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(Br)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5])	C[5](C[5]C[5]Br)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(Br){1|N<3>,2|C<3>}	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[5](C[5]C[5]Br)(C[5]N[5]C)(CCHH){1|C<3>}	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	110.1538	10.154	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]Si)(C[5]N[5]C)(H)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(SiCOO)	C[5](C[5]C[5]Si)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|Si<4>,1|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(SiCOO){1|C<3>}	109.9350	0.000	1	109.9350	0.000	1	109.9350	0.000	1	110.1538	10.154	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(CC[5,6]C)(O[5]C[5])	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH)	C[5](C[5]C[5]C)(C[5]O[5]C)(H){1|O<1>}	C[5](C[5]C[5]H)(CC[5,6]C)(O[5]C[5]){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH){1|C<3>}	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	110.1538	10.154	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>}	109.5280	0.366	2	109.8185	0.262	4	109.8185	0.262	4	110.1538	10.154	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,5|C<4>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>}	110.1090	0.561	2	109.8185	0.262	4	109.8185	0.262	4	110.1538	10.154	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]Se[5])(C[5]C[5]C)(H)	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]H)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5a]Se[5])(C[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>}	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[5](C[5]Se[5]H)(C[5]C[5]H)(CCHH){1|C<3>}	115.1570	0.430	2	115.1570	0.185	2	115.1570	0.185	2	110.1538	10.154	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(OC)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(H){1|Pd<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(OC){1|Pd<4>,1|C<4>,2|C<3>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>}	104.1990	0.000	1	104.1990	0.000	1	104.1990	0.000	1	110.1538	10.154	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]O[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|C<3>}	107.5650	0.190	2	107.5650	0.036	2	107.5650	0.036	2	107.9325	0.877	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5])	C[5](C[5]S[5]CuH)(C[5]C[5]H)(H)	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H){1|Cu<3>,1|C<3>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5]){1|Cu<3>,2|C<3>,3|H<1>}	C[5](C[5]S[5]CuH)(C[5]C[5]H)(H){1|C<3>}	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	107.9325	0.877	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<3>}	107.1565	0.077	2	107.1565	0.006	2	107.6780	0.819	3	107.9325	0.877	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]O[5]CO)(C[5]C[5]H)(O)	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H){1|C<2>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|C<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]O[5]CO)(C[5]C[5]H)(O){1|C<3>}	108.7210	0.000	1	108.7210	0.000	1	107.6780	0.819	3	107.9325	0.877	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:2:	4:3:2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[6a]2N[5])(C[5]C[5]H)(OC)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]C[5]H)(OC){5|C<3>}	105.2750	0.000	1	105.2750	0.000	1	105.2750	0.000	1	105.2750	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]N[5]H)(H){1|N<3>}	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H){1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(H){1|C<3>,1|N<3>}	106.1660	0.000	1	106.1660	0.000	1	105.7450	0.354	2	108.6273	10.676	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5a]N[5])(CC[6a]C[5])(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]N[5]H)(H){1|N<3>}	C[5](C[5]N[5a]N[5])(CC[6a]C[5])(C[5]C[5]H){1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(H){1|C<3>,1|N<3>}	105.3240	0.000	1	105.3240	0.000	1	105.7450	0.354	2	108.6273	10.676	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]2)(C[5]S[5]H)(H)	C[5](C[5]N[5]O[5])(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]C[5]2)(C[5]S[5]H)(H){1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]N[5]O[5])(C[5]C[5]H)(C[5]S[5]O){2|C<4>,2|H<1>}	C[5](C[5]C[5]H)(S[5]C[5])(H){1|C<3>,1|O<1>}	113.8900	0.000	1	113.8900	0.000	1	113.8900	0.000	1	108.6273	10.676	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|O<1>}	110.1595	1.249	2	110.1595	1.561	2	109.9613	0.898	3	108.6273	10.676	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|O<1>}	109.5650	0.000	1	109.5650	0.000	1	109.9613	0.898	3	108.6273	10.676	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(O)	C[5](C[5]C[5]O)(C[5]O[5]C)(CSS)	C[5](C[5]C[5]O)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(O){1|C<3>}	C[5](C[5]C[5]O)(C[5]O[5]C)(CSS){1|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(O){2|C<3>}	105.1270	0.000	1	105.1270	0.000	1	105.1270	0.000	1	108.6273	10.676	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:2:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(H){3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CH3){2|C<3>}	108.2040	0.000	1	108.2040	0.000	1	108.2040	0.000	1	105.5980	5.179	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:2:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[5]N[5])(C[5]O[5]C)(H)	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]H)(O[5]N[5])(CCHH)	C[5](C[5]C[5]N[5])(C[5]O[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]H)(O[5]N[5])(CCHH){1|Ir<6>,1|C<3>}	104.2950	0.414	2	104.2950	0.172	2	104.2950	0.172	2	105.5980	5.179	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(Br)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]Br)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(Br){1|Br<1>,1|C<3>}	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH){1|Br<1>,1|H<1>}	C[5](C[5]C[5]Br)2(H){2|C<3>}	110.7998	0.665	5	110.7998	0.443	5	110.7998	0.443	5	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Br)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O)	C[5](C[5]C[5]Br)(N[5]C[5]H)(O)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Br){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]Br)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:Br-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]Br)(Br)	C[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]B)	C[5](C[5]C[5]Br)(N[5]N[5]Ni)(Br)	C[5](C[5]C[6a]N[5])(C[5]N[5]Br)(Br){1|Ni<6>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]B){1|Br<1>,1|Ni<6>,2|C<3>,2|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]Ni)(Br){1|B<4>,1|C<3>}	106.4545	0.473	4	106.4545	0.224	4	106.4545	0.224	4	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl)	C[5](C[5]C[5]Cl)2(C[5]N[5]2)	C[5](C[5]C[5]Cl)2(Cl)	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl){2|Cl<1>,2|N<3>}	C[5](C[5]C[5]Cl)2(C[5]N[5]2){2|Cl<1>,4|C<3>}	C[5](C[5]C[5]Cl)2(Cl){1|Cl<1>,1|C<3>}	109.2547	0.411	6	109.2547	0.169	6	109.2547	0.169	6	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]Cl)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]Cl)(N[5]N[5]C)(H){1|C<3>,1|V<6>}	106.3850	0.000	1	106.3850	0.000	1	106.3850	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	As[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H)	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H)	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H){4|C<3>}	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H){4|C<3>}	117.2650	0.000	2	117.4054	0.298	14	117.4054	0.298	14	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	As[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H)	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H)	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H){4|C<3>}	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H){4|C<3>}	117.4288	0.590	12	117.4054	0.298	14	117.4054	0.298	14	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	B[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]B[5]C[5])(C[5]C[5]H)(H)	C[5](B[5]O[5]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]B[5]C[5])(C[5]C[5]H)(H){2|C<3>,2|O<2>}	C[5](B[5]O[5]2)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|B<3>,1|C<3>}	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]H)(N[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<3>,1|O<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]2)(H){1|N<2>,1|O<1>,2|C<3>}	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|H<1>,1|O<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>}	109.0790	0.533	2	109.0790	0.284	2	109.1530	0.159	3	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|H<1>,1|O<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>}	109.3010	0.000	1	109.3010	0.000	1	109.1530	0.159	3	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:O[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](CC[5a]C[6a])(O[5]C[5]Co)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Co<5>,1|C<3>}	C[5](CC[5a]C[6a])(O[5]C[5]Co)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Co<5>,1|C<3>}	107.6255	0.342	2	107.6255	0.117	2	108.5920	1.284	4	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:O[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](CC[5a]C[6a])(O[5]C[5]Pd)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Pd<4>,1|C<3>}	C[5](CC[5a]C[6a])(O[5]C[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Pd<4>,1|C<3>}	109.5585	0.009	2	109.5585	0.000	2	108.5920	1.284	4	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](CC[5a]C[6a])(S[5]C[5]Pd)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Pd<4>,1|C<3>}	C[5](CC[5a]C[6a])(S[5]C[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Pd<4>,1|C<3>}	114.6248	0.462	4	114.6248	0.213	4	114.2912	0.373	14	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](CC[5a]C[6a])(S[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Re<6>,1|C<3>}	C[5](CC[5a]C[6a])(S[5]C[5]Re)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Re<6>,1|C<3>}	113.8310	0.470	2	113.8310	0.220	2	114.2912	0.373	14	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](CC[5a]C[6a])(S[5]C[5]Rh)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Rh<5>,1|C<3>}	C[5](CC[5a]C[6a])(S[5]C[5]Rh)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Rh<5>,1|C<3>}	112.9510	0.000	1	112.9510	0.000	1	114.2912	0.373	14	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](CC[5a]C[6a])(S[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Ru<6>,1|C<3>}	C[5](CC[5a]C[6a])(S[5]C[5]Ru)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Ru<6>,1|C<3>}	114.2730	0.389	4	114.2730	0.151	4	114.2912	0.373	14	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](CC[6a]C[5])(S[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Re<6>,1|C<3>}	C[5](CC[6a]C[5])(S[5]C[5]Re)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Re<6>,1|C<3>}	114.8915	0.339	2	114.8915	0.115	2	114.2912	0.373	14	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-3:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](CC[6a]C[5])(S[5]C[5]Rh)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Rh<5>,1|C<3>}	C[5](CC[6a]C[5])(S[5]C[5]Rh)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Rh<5>,1|C<3>}	114.0900	0.000	1	114.0900	0.000	1	114.2912	0.373	14	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]H)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]H)(H){1|S<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H){1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H){1|H<1>,1|S<2>,2|C<3>}	110.0488	0.818	25	110.0488	0.669	25	110.0488	0.669	25	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	109.9760	0.199	3	109.9760	0.039	3	109.9760	0.039	3	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	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)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]C[6,6])(C[5]C[5,6a]H)(H){2|C<3>,2|C<4>}	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|H<1>,3|C<3>}	110.4291	0.311	7	110.4291	0.097	7	110.4291	0.097	7	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:P-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<3>,2|C<3>}	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CBrC)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CBrC){2|H<1>}	C[5](C[5]C[5]H)2(H){2|C<3>}	109.1360	0.000	1	109.1360	0.000	1	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCC)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCC){2|H<1>}	C[5](C[5]C[5]H)2(H){2|C<3>}	109.0780	0.051	2	109.0780	0.003	2	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	109.4020	0.966	2	109.4020	0.933	2	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]H)(C[5]C[5]N)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|N<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(C[5]C[5]N)(H){2|C<3>}	109.0130	0.000	1	109.0130	0.000	1	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|H<1>}	C[5](C[5]C[5]H)2(H){2|C<3>}	108.4827	0.619	19	108.4827	0.383	19	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H){4|C<3>}	108.6920	0.000	1	108.6920	0.000	1	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){4|C<3>}	108.4220	0.000	1	108.4220	0.000	1	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO){2|H<1>}	C[5](C[5]C[5]H)2(H){2|C<3>}	109.7453	0.395	3	109.7453	0.156	3	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N){2|H<1>}	C[5](C[5]C[5]H)2(H){2|C<3>}	109.5480	0.286	6	109.5480	0.082	6	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|H<1>,1|O<2>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){2|C<3>}	110.9650	0.000	1	110.9650	0.000	1	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){2|H<1>}	C[5](C[5]C[5]H)2(H){2|C<3>}	109.3683	0.401	6	109.3683	0.161	6	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN){2|H<1>}	C[5](C[5]C[5]H)2(H){2|C<3>}	109.7841	0.706	26	109.7841	0.498	26	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO){2|H<1>}	C[5](C[5]C[5]H)2(H){2|C<3>}	109.7250	0.000	1	109.7250	0.000	1	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(CCC)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(C[5]C[5]P)(CCC){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|P<4>}	109.7670	0.164	2	109.7670	0.027	2	109.3158	0.653	72	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	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)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]H)2(C[6]C[6]2){1|C<2>,1|C<3>,4|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	108.6262	0.213	4	108.6262	0.045	4	108.6262	0.045	4	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]N)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(NHS)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]N)(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(NHS){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|N<3>}	108.6900	0.000	1	108.6900	0.000	1	108.6900	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	107.8040	0.000	1	107.8040	0.000	1	108.1607	0.193	3	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	108.3390	0.443	2	108.3390	0.196	2	108.1607	0.193	3	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]S[5])(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H){1|Mg<6>,1|C<3>,1|H<1>,1|S<2>}	C[5](C[5]C[5]S[5])(C[5]C[5]H)(N[5]N[5]H){1|Mg<6>,1|C<2>,1|C<3>,2|H<1>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.0450	0.000	1	105.0450	0.000	1	105.0450	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[6]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]N[6])(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(N[6]C[6]2)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]N[6])(C[5]N[5]O)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5]H)(C[5]N[5]O)(N[6]C[6]2){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Cu<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){1|Cu<5>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|H<1>,1|N<3>}	105.0000	0.000	1	105.0000	0.000	1	105.0000	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H){4|C<3>}	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<3>,1|V<7>}	104.6820	0.000	1	104.6820	0.000	1	104.6820	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ag<4>,1|C<3>}	104.9152	0.466	10	104.9152	0.217	10	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cd<7>,1|C<3>}	104.8420	0.000	1	104.8420	0.000	1	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cd<5>,1|C<3>}	105.4710	0.000	1	105.1746	0.111	7	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cd<6>,1|C<3>}	105.1252	0.336	6	105.1746	0.111	7	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<6>,1|C<3>}	105.0090	0.528	3	105.0090	0.279	3	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Co<8>,1|C<3>}	105.2920	0.000	1	105.2920	0.000	1	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|C<3>}	105.3675	0.368	2	105.6044	1.721	10	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|C<3>}	105.8051	1.533	7	105.6044	1.721	10	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<6>,1|C<3>}	104.6730	0.000	1	105.6044	1.721	10	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|C<3>}	104.5990	0.096	2	104.5990	0.009	2	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<3>}	104.9425	0.749	4	104.9425	0.561	4	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Fe<6>,1|C<3>}	104.7308	0.734	106	104.7308	0.539	106	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|C<3>}	105.0110	0.777	5	105.0110	0.603	5	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ir<6>,1|C<3>}	105.3230	1.504	4	105.3230	2.263	4	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<5>,1|C<3>}	105.4910	0.000	1	105.4910	0.000	1	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mn<6>,1|C<3>}	104.8661	0.198	8	104.8661	0.039	8	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mo<6>,1|C<3>}	105.0810	0.058	2	105.0810	0.003	2	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mo<6>,1|C<3>}	104.5177	0.251	3	104.6587	0.122	4	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mo<7>,1|C<3>}	105.0820	0.000	1	104.6587	0.122	4	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Nd<12>,1|C<3>}	104.4933	0.210	3	104.4933	0.044	3	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ni<6>,1|C<3>}	104.4040	0.246	3	104.4040	0.060	3	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|C<3>}	104.8705	0.334	2	104.8705	0.112	2	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pd<4>,1|C<3>}	105.1120	0.000	1	105.1120	0.000	1	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|C<3>}	104.9225	1.169	8	104.9225	1.367	8	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pt<4>,1|C<3>}	105.2584	0.443	9	105.2584	0.196	9	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|C<3>}	105.2217	0.387	3	105.4352	0.282	4	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Re<6>,1|N<3>,2|C<3>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|C<3>}	106.0760	0.000	1	105.4352	0.282	4	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|C<3>}	105.0734	0.789	7	105.0734	0.623	7	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ru<6>,1|C<3>}	104.8385	0.885	4	104.8385	0.782	4	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|C<3>}	104.8680	0.212	3	104.9748	0.075	4	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<5>,1|C<3>}	105.2950	0.000	1	104.9748	0.075	4	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Zn<5>,1|C<3>}	104.6660	0.000	1	104.7920	0.128	4	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Zn<6>,1|C<3>}	104.8340	0.426	3	104.7920	0.128	4	104.8871	0.556	217	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	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)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){2|Cd<6>,1|C<3>,1|N<3>}	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[5](N[5]N[5]Cd)(C[5]C[5]H)(H){1|Cd<6>,1|C<3>}	104.4080	0.000	1	104.4080	0.000	1	104.5322	0.595	24	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	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)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|N<3>,2|C<3>}	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[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<4>,3|C<3>}	105.0762	0.633	9	105.0762	0.401	9	104.5322	0.595	24	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	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)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){2|Cu<4>,1|C<3>,1|N<3>}	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[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|Cu<4>,1|C<3>}	103.6753	0.190	3	103.9101	0.090	7	104.5322	0.595	24	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	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)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){2|Cu<5>,1|C<3>,1|N<3>}	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[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|Cu<5>,1|C<3>}	104.0863	0.243	4	103.9101	0.090	7	104.5322	0.595	24	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	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)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){2|Fe<6>,1|C<3>,1|N<3>}	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[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|Fe<6>,1|C<3>}	102.8950	0.000	1	102.8950	0.000	1	104.5322	0.595	24	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	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)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|N<3>,2|C<3>}	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[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<6>,3|C<3>}	105.0365	0.329	2	105.0365	0.108	2	104.5322	0.595	24	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	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)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	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>}	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[5](N[5]N[5]Mn)(C[5]C[5]H)(H){1|Li<4>,1|C<3>}	104.2420	0.000	1	104.2420	0.000	1	104.5322	0.595	24	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	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)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){2|Pt<4>,1|C<3>,1|N<3>}	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[5](N[5]N[5]Pt)(C[5]C[5]H)(H){1|Pt<4>,1|C<3>}	104.6993	0.739	3	104.6993	0.546	3	104.5322	0.595	24	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	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)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	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>}	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[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Cu<4>,1|C<3>}	113.1680	0.000	1	113.1680	0.000	1	112.5172	1.817	5	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	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)	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	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>}	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[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Cu<4>,1|C<3>}	113.0120	0.216	2	113.0120	0.047	2	112.5172	1.817	5	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	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)	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	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>}	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[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Ru<5>,1|C<3>}	113.2720	0.000	1	113.2720	0.000	1	112.5172	1.817	5	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-3:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	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)	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	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>}	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[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Yb<12>,1|C<3>}	110.1220	0.000	1	110.1220	0.000	1	112.5172	1.817	5	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	111.1520	0.000	1	111.1520	0.000	1	108.6992	1.137	13	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	108.2989	0.898	8	108.4948	0.648	12	108.6992	1.137	13	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|H<1>}	108.8865	0.434	4	108.4948	0.648	12	108.6992	1.137	13	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	109.1025	0.391	2	109.1025	0.153	2	109.6342	1.412	4	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](C[5]C[5]H)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]H)(O){2|C<3>}	108.9510	0.000	1	108.9510	0.000	1	109.6342	1.412	4	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|N<2>}	111.3810	0.000	1	111.3810	0.000	1	109.6342	1.412	4	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|O<1>,3|C<3>}	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<3>,1|H<1>}	106.2050	0.583	3	106.2050	0.340	3	106.2050	0.340	3	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ti<6>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ti<6>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H){1|B<4>,1|C<3>}	105.2400	0.000	1	105.2400	0.000	1	106.0371	0.346	19	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,2|C<3>,3|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.7195	0.192	2	106.1260	0.210	6	106.0371	0.346	19	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<6>,2|C<3>,3|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	106.3293	0.415	4	106.1260	0.210	6	106.0371	0.346	19	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|C<3>,3|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.4260	0.000	1	105.4260	0.000	1	106.0371	0.346	19	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,2|C<3>,3|H<1>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.7760	0.000	1	105.7760	0.000	1	106.0371	0.346	19	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.5960	0.000	1	105.5960	0.000	1	106.0371	0.346	19	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<9>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	106.6370	0.000	1	106.6370	0.000	1	106.0371	0.346	19	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ti<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ti<6>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.4500	0.000	1	105.4500	0.000	1	106.0371	0.346	19	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|C<3>,3|H<1>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.9482	0.525	5	105.9482	0.276	5	106.0371	0.346	19	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]O){3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|O<1>,3|C<3>}	107.0410	0.000	2	107.0410	0.000	2	106.0371	0.346	19	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:P[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]C[5]N)	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]C[5]N){3|C<3>,3|H<1>}	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|N<3>,3|C<3>}	115.2095	0.189	2	115.2095	0.036	2	115.2095	0.036	2	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6,6a]C[6a])(N[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6,6a]C[6a])(N[5]N[5]Ru)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ru<6>,1|C<3>}	105.2407	1.023	3	105.2407	1.047	3	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]N[5]Re)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|C<3>}	105.5390	0.000	1	105.5390	0.000	1	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Co<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<5>,1|C<3>}	105.5130	0.394	5	105.5637	0.096	8	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Co<6>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<6>,1|C<3>}	105.6483	0.096	3	105.5637	0.096	8	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Co<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<4>,1|C<3>}	106.5290	0.000	1	106.5290	0.000	1	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<4>,1|C<3>}	104.7517	0.146	6	104.8346	0.035	12	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<5>,1|C<3>}	104.9175	0.200	6	104.8346	0.035	12	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|C<3>}	105.7033	0.373	3	105.9100	0.161	5	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<5>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|C<3>}	106.2200	0.215	2	105.9100	0.161	5	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<4>,1|C<3>}	105.5600	0.000	1	105.5600	0.000	1	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<5>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<5>,1|C<3>}	105.4620	0.156	5	105.4620	0.024	5	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<6>,1|C<3>}	105.9761	0.652	9	105.6699	0.287	21	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<6>,1|C<3>}	105.1960	0.393	2	105.6699	0.287	21	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<6>,1|C<3>}	105.5090	0.000	1	105.6699	0.287	21	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<7>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<7>,1|C<3>}	105.4770	0.321	6	105.6699	0.287	21	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<7>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<7>,1|C<3>}	105.3660	0.000	1	105.6699	0.287	21	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<7>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<7>,1|C<3>}	105.5765	0.097	2	105.6699	0.287	21	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Mn<6>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|C<3>}	106.1100	0.004	2	106.1100	0.000	2	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<4>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<4>,1|C<3>}	105.5144	0.258	8	105.6186	0.117	17	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<5>,1|C<3>}	105.7505	0.463	6	105.6186	0.117	17	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<6>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<6>,1|C<3>}	105.6327	0.273	3	105.6186	0.117	17	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<6>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|C<3>}	105.8765	0.127	2	106.0095	0.565	6	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<6>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|O<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|C<3>}	106.0760	0.958	4	106.0095	0.565	6	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pd<4>,1|C<3>}	105.9530	0.253	2	105.9530	0.064	2	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|C<3>}	104.5872	0.855	4	104.5872	0.731	4	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|C<3>}	105.7559	0.436	10	105.7559	0.190	10	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|C<3>}	105.7610	0.000	1	105.7610	0.000	1	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ru<9>,1|C<3>}	106.3320	0.000	1	106.3320	0.000	1	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Sb<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Sb<6>,1|C<3>}	106.3186	0.485	12	106.3186	0.235	12	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sm)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Sm<6>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Sm)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Sm<6>,1|C<3>}	105.6410	0.094	3	105.6410	0.009	3	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ti)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ti<6>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ti)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ti<6>,1|C<3>}	105.7310	0.130	2	105.7310	0.017	2	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Zn<5>,1|C<3>}	105.3833	0.854	6	105.3833	0.729	6	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|C<3>}	105.5830	0.000	1	105.5830	0.000	1	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5]Re)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Re<6>,1|B<4>,1|C<3>,1|N<2>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5]Re)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<6>,1|C<3>}	105.3940	0.000	1	105.3940	0.000	1	105.6239	0.377	125	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<6>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<6>,1|N<3>,2|C<3>}	105.9780	0.161	4	105.9780	0.026	4	105.8269	0.365	34	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<4>,3|C<3>}	105.7790	0.454	4	105.7790	0.206	4	105.8269	0.365	34	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<6>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|N<3>,2|C<3>}	105.7515	0.422	4	105.7515	0.178	4	105.8269	0.365	34	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|N<3>,2|C<3>}	107.4600	0.000	1	107.4600	0.000	1	105.8269	0.365	34	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){2|Mn<6>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<6>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){1|Mn<6>,1|C<3>}	105.2077	1.020	3	105.2077	1.041	3	105.8269	0.365	34	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){2|Pd<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){1|Pd<4>,2|C<3>,3|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|Pd<4>,1|C<3>}	105.8825	0.409	6	105.8825	0.168	6	105.8269	0.365	34	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[5](N[5]N[5]Sb)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){2|Sb<6>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H){1|Sb<6>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Sb)(C[5]C[5]H)(H){1|Sb<6>,1|C<3>}	105.4367	0.436	6	105.4367	0.190	6	105.8269	0.365	34	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<6>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Zn<6>,1|N<3>,2|C<3>}	106.4363	0.075	4	106.4363	0.006	4	105.8269	0.365	34	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5]Fe)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|N<3>,2|C<3>}	105.6680	0.709	2	105.6680	0.502	2	105.8269	0.365	34	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]S[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(S[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[6a]S[5])(C[5]C[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(S[5]C[5]Ru)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Ru<6>,1|C<3>}	113.9060	0.429	2	113.9060	0.184	2	113.9060	0.184	2	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]H)(H)	C[5](N[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]H)(H){2|B<4>,2|C<3>}	C[5](N[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,1|N<3>,1|O<3>,3|C<3>,3|H<1>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|N<3>,1|O<3>,2|C<3>}	106.5580	0.000	1	106.5580	0.000	1	106.5580	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	C[5](C[5]N[5,6]C[6a])(C[5]N[5,6]H)(H){2|B<4>,2|C<3>}	C[5](N[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	106.2330	0.078	2	106.2330	0.006	2	106.2330	0.006	2	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCH)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){2|C<3>}	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(COO)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(COO){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|C<3>}	104.7600	0.000	1	104.7600	0.000	1	104.7600	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|Cu<5>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO){1|Cu<5>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|Cu<5>,1|C<3>}	103.7810	0.000	1	103.7810	0.000	1	103.8265	0.004	2	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(COO)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|Ni<6>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(COO){1|Ni<6>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|Ni<6>,1|C<3>}	103.8720	0.000	1	103.8720	0.000	1	103.8265	0.004	2	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(C[5]N[5]2)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H){2|Ni<6>,1|N<2>,1|N<3>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(C[5]N[5]2){1|Ni<6>,1|H<1>,1|O<2>,2|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|Ni<6>,1|C<3>}	103.2763	0.828	3	103.2763	0.686	3	103.2763	0.686	3	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(NOO)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Cu<4>,1|B<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(NOO){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<4>,1|N<3>}	102.8156	0.256	5	102.8156	0.065	5	102.8156	0.065	5	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(NCH)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Fe<5>,1|Fe<6>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(NCH){1|Fe<6>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|Fe<5>,1|N<3>}	104.1673	0.301	3	104.1673	0.091	3	104.1673	0.091	3	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	O[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](O[5]C[5]Pd)(C[5]C[5]H)(CC[5]H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Pd<4>,1|C<3>}	C[5](O[5]C[5]Pd)(C[5]C[5]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Pd<4>,1|C<3>}	108.7580	0.000	1	108.7580	0.000	1	108.5845	0.060	2	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	O[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](O[5]C[5]Pd)(C[5]C[5]H)(CC[5a]H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Pd<4>,1|C<3>}	C[5](O[5]C[5]Pd)(C[5]C[5]H)(CC[5a]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Pd<4>,1|C<3>}	108.4110	0.000	1	108.4110	0.000	1	108.5845	0.060	2	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	P[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){4|C<3>}	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){4|C<3>}	115.7052	0.388	6	115.7052	0.151	6	115.7052	0.151	6	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:I-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(I){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(CC[6a]O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(O){1|H<1>,3|C<3>}	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:I-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(I)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]I)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(I){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|C<2>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]I)(H){2|C<3>}	109.8720	0.000	1	109.8720	0.000	1	109.8427	0.015	3	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:I-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(I)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	C[5](C[5]C[5]I)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(I){1|C<3>,1|I<1>}	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|H<1>,1|I<1>}	C[5](C[5]C[5]I)2(H){2|C<3>}	109.8280	0.171	2	109.8280	0.029	2	109.8427	0.015	3	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:O-1:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O)	C[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(O){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O){1|N<3>,3|C<3>}	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(O){1|H<1>,3|C<3>}	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:N[6]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]N[6])(C[5]N[5]O)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(N[6]C[6]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O)	C[5](C[5]C[5]N[6])(C[5]N[5]O)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]O)(N[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O){1|N<3>,1|O<1>,2|C<3>}	105.6080	0.000	1	105.6080	0.000	1	105.6080	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:O-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]N[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CC[5a]H)	C[5](C[5]C[5]O)(C[5]N[5]S)(Cl)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(O){1|C<3>,1|S<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CC[5a]H){1|Cl<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]S)(Cl){2|C<3>}	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	106.9331	9.268	660	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]H)2(CC)	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<2>,1|H<1>}	C[5](C[5]C[5]H)2(CC){2|C<3>}	108.7193	0.380	7	108.7193	0.144	7	108.7193	0.144	7	108.8199	12.891	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){1|C<3>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){2|C<3>}	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	108.8199	12.891	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5a]S[5])(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5])	C[5](C[5]C[5a]S[5])(C[5]C[5]2)(H){1|O<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	114.9860	0.000	1	114.9860	0.000	1	114.9860	0.000	1	108.8199	12.891	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]N[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]N[5])(H){1|Ir<6>,1|N<3>,3|C<3>}	C[5](C[5]C[5]N[5])(N[5]O[5]Ir)(C[5]C[5]H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	104.0300	0.132	2	104.0300	0.017	2	104.0300	0.017	2	108.8199	12.891	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C-3:C[5]-3:N[5]-2:	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)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]C[6])(C[5]N[5]C)(H){1|N<3>,2|C<3>}	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[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){2|C<3>}	107.4550	0.000	1	107.4550	0.000	1	107.4550	0.000	1	108.8199	12.891	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N-2:	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]H)(N[5]C[5]C)(NC)	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(NC){1|C<3>,1|O<1>}	110.1390	0.000	1	110.1390	0.000	1	110.1390	0.000	1	108.8199	12.891	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:I-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)2(I)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	C[5](C[5]C[5]I)2(CN)	C[5](C[5]C[5]C)2(I){1|C<3>,1|I<1>}	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|C<2>,1|I<1>}	C[5](C[5]C[5]I)2(CN){2|C<3>}	108.9255	0.170	2	108.9255	0.029	2	108.9255	0.029	2	108.8199	12.891	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:I-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(I)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(C[5]C[5]I)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5])	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(I){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(C[5]C[5]I){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){3|C<3>,3|H<1>}	116.8430	0.426	2	116.8430	0.181	2	116.8430	0.181	2	108.8199	12.891	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(C[5]N[5]C)(O){1|C<3>,1|O<2>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]H){1|C<2>,1|O<2>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CN){2|C<3>}	105.2110	0.000	1	105.2110	0.000	1	105.2110	0.000	1	108.8199	12.891	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:O-1:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-3:C[5]-3:Se-2:	C[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]Se)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a])	C[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]Se){1|Se<2>,1|H<1>,2|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>}	106.0055	0.523	2	106.0055	0.273	2	105.8370	0.222	3	108.8199	12.891	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:O-1:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-3:C[5]-3:Se-2:	C[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(CC[6a]Se)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a])	C[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O){2|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(CC[6a]Se){1|Se<2>,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>}	105.5000	0.000	1	105.5000	0.000	1	105.8370	0.222	3	108.8199	12.891	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)2(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN)	C[5](C[5]C[5,6a]C)2(Cl){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN){1|H<1>,3|C<3>}	112.7720	0.000	1	112.7720	0.000	1	112.7720	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:B-3:	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]Cl)2(BC[6a]2)	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl){1|Cl<1>,1|C<3>}	C[5](C[5]C[5]Cl)(C[5]C[5]C)(CCH){1|Cl<1>,1|B<3>}	C[5](C[5]C[5]Cl)2(BC[6a]2){2|C<3>}	111.7075	0.037	2	111.7075	0.001	2	111.7075	0.001	2	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(Cl)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(COO)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)2(Cl){2|C<3>}	C[5](C[5]C[5]Cl)(C[5]C[5]C)(COO){2|C<3>}	C[5](C[5]C[5]Cl)(C[5]C[5]C)(COO){2|C<3>}	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:C[5]-3:	C-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)2(H)	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H)	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H){2|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H){2|C<3>}	110.4710	0.103	2	110.4710	0.011	2	110.4710	0.011	2	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]H)	C[5](C[5]C[5,6a]C)2(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]H){1|H<1>,3|C<3>}	111.1145	0.169	2	111.1145	0.029	2	110.3817	0.766	4	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHO)	C[5](C[5]C[5,6a]C)2(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHO){1|H<1>,3|C<3>}	109.6490	0.349	2	109.6490	0.122	2	110.3817	0.766	4	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(H){1|N<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]H){2|H<1>,5|C<3>}	111.9740	0.000	1	111.9740	0.000	1	111.9740	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C){1|H<1>,3|C<3>}	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]H)2(CCC)	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(CCC){2|C<3>}	109.8535	0.522	4	109.8535	0.272	4	109.9245	0.441	17	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO){2|C<3>}	109.9075	0.310	2	109.9075	0.096	2	109.9245	0.441	17	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]2)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]2)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]2){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]2){2|C<3>}	110.2930	0.000	1	110.2930	0.000	1	109.9245	0.441	17	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]H)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]H){2|C<3>}	111.9590	0.000	1	111.9590	0.000	1	109.9245	0.441	17	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H){2|C<3>}	110.0760	0.000	1	110.0760	0.000	1	109.9245	0.441	17	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CN[6]S)	C[5](C[5]C[5]C)(C[5]C[5]H)(CN[6]S)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CN[6]S){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CN[6]S){2|C<3>}	109.3050	0.000	1	109.3050	0.000	1	109.9245	0.441	17	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]C)2(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){2|C<3>}	110.1300	0.000	1	110.1300	0.000	1	109.9245	0.441	17	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){2|C<3>}	109.7396	0.321	5	109.7396	0.103	5	109.9245	0.441	17	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CCN)	C[5](C[5]C[5]H)2(CCN)	C[5](C[5]C[5]C)2(H){2|H<1>}	C[5](C[5]C[5]H)2(CCN){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(CCN){1|C<3>,1|H<1>}	109.0260	0.000	1	109.0260	0.000	1	109.9245	0.441	17	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]2)(C[5]C[5]H)2	C[5](C[5]C[5]2)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	109.3881	0.551	12	109.3881	0.304	12	109.3881	0.304	12	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)2{4|C<3>}	108.6680	0.119	4	108.6680	0.014	4	108.6680	0.014	4	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	109.4727	0.521	7	109.4727	0.271	7	109.1782	0.135	28	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	109.1303	0.131	3	109.1303	0.017	3	109.1782	0.135	28	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[3]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[3]H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	109.1250	0.000	1	109.1250	0.000	1	109.1782	0.135	28	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6]H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	109.1040	0.000	1	109.1040	0.000	1	109.1782	0.135	28	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	109.0284	0.248	14	109.0284	0.062	14	109.1782	0.135	28	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]N){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	109.3320	0.458	2	109.3320	0.210	2	109.1782	0.135	28	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	104.9140	0.000	1	104.9140	0.000	1	109.4576	3.719	8	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	110.1067	0.637	7	110.1067	0.406	7	109.4576	3.719	8	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	111.2250	0.427	2	111.2250	0.182	2	110.7583	0.745	3	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]P)	C[5](C[5]C[6a]C[5])2(H){1|P<4>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]P){2|H<1>,4|C<3>}	109.8250	0.000	1	109.8250	0.000	1	110.7583	0.745	3	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CNO)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CNO)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CNO){1|Ni<6>,1|C<3>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CNO){1|C<3>,1|H<1>}	104.6378	0.378	6	104.6378	0.143	6	104.6124	0.143	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(COO)	C[5](N[5]N[5]Co)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)2(H){1|Co<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(COO){1|Co<6>,1|C<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	104.2523	0.399	3	104.2523	0.159	3	104.6124	0.143	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(COO)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(COO){1|Mn<6>,1|C<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	104.9850	0.000	2	104.9850	0.000	2	104.6124	0.143	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(COO)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(COO){1|Ni<6>,1|C<3>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	104.4330	0.000	1	104.4330	0.000	1	104.6124	0.143	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(COO)	C[5](N[5]N[5]Sr)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)2(H){1|Sr<8>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(COO){1|Sr<8>,1|C<3>}	C[5](N[5]N[5]Sr)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	104.6290	0.000	1	104.6290	0.000	1	104.6124	0.143	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(COO)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)2(H){1|Zn<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(COO){1|Zn<6>,1|C<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	104.9570	0.000	1	104.9570	0.000	1	104.6124	0.143	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[6]N[5])(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	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>}	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	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>}	104.8485	0.547	2	104.8485	0.299	2	104.5745	0.204	4	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[6]N[5])(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	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>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ni)(C[5]C[5]H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	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>}	104.3005	0.111	2	104.3005	0.012	2	104.5745	0.204	4	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]N)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHN)	C[5](C[5]N[5]N)2(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(N[5]N[5]H)(NHN){1|H<1>,1|N<3>}	105.4494	0.261	5	105.4494	0.068	5	105.4494	0.068	5	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]H)2{1|N<3>,2|C<4>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	109.7730	0.566	2	109.1815	0.581	4	109.2724	0.700	7	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5a]C[5a]2)(C[5]C[5]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	108.5900	0.150	2	109.1815	0.581	4	109.2724	0.700	7	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|O<2>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){2|C<3>}	110.6490	0.000	1	110.6490	0.000	1	109.2724	0.700	7	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	108.7660	0.136	2	108.7660	0.018	2	109.2724	0.700	7	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])2(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])2(H){2|S<2>,4|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	110.6940	0.000	1	110.8890	0.076	2	110.8890	0.076	2	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])2(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])2(H){2|S<2>,4|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|O<2>,4|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|O<2>,4|C<3>}	111.0840	0.000	1	110.8890	0.076	2	110.8890	0.076	2	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5a]N[5])2(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5]C[5a]N[5])2(H){2|C<3>,2|H<1>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){1|F<1>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){1|F<1>,2|H<1>,3|C<3>}	106.5410	0.000	1	106.7700	0.041	3	106.7700	0.041	3	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5a]N[5])2(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5]C[5a]N[5])2(H){2|C<3>,2|H<1>,2|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	106.8845	0.066	2	106.7700	0.041	3	106.7700	0.041	3	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5a]N[5])(C[5]C[6]N[5])(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H)	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>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C){1|Re<6>,1|H<1>,3|C<3>}	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>}	107.2800	0.000	1	107.2800	0.000	1	107.2800	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:N-3:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(NHH){1|Fe<6>,1|C<3>}	105.0380	0.233	2	105.0380	0.054	2	105.0060	0.030	3	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:N-3:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(NHH){1|Mn<6>,1|C<3>}	104.9420	0.000	1	104.9420	0.000	1	105.0060	0.030	3	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:C[5]-3:	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)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H)	C[5](C[5]C[6]N[5])2(H){2|Co<6>,2|C<3>,2|N<3>}	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[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>}	104.2800	0.000	1	104.2800	0.000	1	103.8026	0.243	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:C[5]-3:	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)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]C[6]N[5])2(H){2|Cu<5>,2|C<3>,2|N<3>}	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[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>}	103.4943	0.312	6	103.4943	0.097	6	103.8026	0.243	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:C[5]-3:	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)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[6]N[5])2(H){2|Fe<6>,2|C<3>,2|N<3>}	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[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>}	104.2164	0.434	5	104.2164	0.188	5	103.8026	0.243	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:C[5]-3:	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)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]C[6]N[5])2(H){2|Ir<8>,2|C<3>,2|N<3>}	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[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>}	103.3380	0.000	1	103.3380	0.000	1	103.8026	0.243	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:C[5]-3:	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)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]C[6]N[5])2(H){2|Ru<6>,2|C<3>,2|N<3>}	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[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>}	103.5700	0.000	1	103.5700	0.000	1	103.8026	0.243	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	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)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	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>}	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[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<6>,2|H<1>,3|C<3>}	105.7025	0.408	2	105.9062	0.483	4	105.9083	0.168	10	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	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)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	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>}	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[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<9>,2|H<1>,3|C<3>}	106.1100	1.056	2	105.9062	0.483	4	105.9083	0.168	10	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	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)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	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>}	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[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Zn<4>,2|H<1>,3|C<3>}	105.9097	0.111	6	105.9097	0.012	6	105.9083	0.168	10	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	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)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){2|Ni<5>,1|N<3>,3|C<3>}	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[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|Ni<5>,2|H<1>,3|C<3>}	104.0090	0.000	1	104.0090	0.000	1	104.0090	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:	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)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CNO)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){2|Cu<5>,1|C<3>,1|N<3>}	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[5](N[5]N[5]Cu)(C[5]C[5]H)(CNO){1|Cu<5>,1|C<3>}	103.9660	0.000	1	103.9660	0.000	1	103.9660	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H){8|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|C<3>}	109.7690	0.520	2	109.7690	0.271	2	110.0326	0.237	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<2>,1|C<3>}	110.0653	0.517	3	109.8123	0.186	6	110.0326	0.237	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|C<3>}	109.4920	0.000	1	109.8123	0.186	6	110.0326	0.237	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|C<3>}	109.5930	0.055	2	109.8123	0.186	6	110.0326	0.237	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){4|C<3>}	110.5170	0.000	1	110.5170	0.000	1	110.0326	0.237	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[5]H)2(CN[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]H)2(CN[5]C){1|C<3>,1|H<1>}	109.8200	0.000	1	109.8200	0.000	1	110.0326	0.237	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|O<2>,3|C<3>}	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){2|C<3>}	110.7810	0.000	1	110.4270	0.182	4	110.0326	0.237	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|O<2>,3|C<3>}	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H){1|I<1>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){2|C<3>}	110.3090	0.436	3	110.4270	0.182	4	110.0326	0.237	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	111.0570	0.532	4	111.0570	0.283	4	110.1754	0.236	25	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])2(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	110.0075	0.237	21	110.0075	0.056	21	110.1754	0.236	25	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	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>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){2|H<1>,3|C<3>}	105.1210	0.000	1	105.1210	0.000	1	105.7394	0.577	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	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>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){2|H<1>,3|C<3>}	104.8350	0.000	1	104.8350	0.000	1	105.7394	0.577	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	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>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){2|H<1>,3|C<3>}	105.7727	0.313	3	105.7727	0.098	3	105.7394	0.577	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	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>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){2|H<1>,3|C<3>}	105.0680	0.000	1	105.2505	0.067	2	105.7394	0.577	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	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>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<5>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){2|H<1>,3|C<3>}	105.4330	0.000	1	105.2505	0.067	2	105.7394	0.577	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H)	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>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pd<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H){2|H<1>,3|C<3>}	106.4010	0.310	2	106.4010	0.096	2	105.7394	0.577	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H)	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>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pt<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H){2|H<1>,3|C<3>}	107.1770	0.000	1	107.1770	0.000	1	105.7394	0.577	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	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>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<8>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	105.6670	0.000	1	105.6670	0.000	1	105.7394	0.577	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Sm)(C[5]C[5]H)	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>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Sm<13>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Sm)(C[5]C[5]H){2|H<1>,3|C<3>}	106.0395	1.242	2	106.0395	1.544	2	105.7394	0.577	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	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>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]H){1|Ru<6>,1|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	104.8510	0.000	1	104.8510	0.000	1	105.7394	0.577	14	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5]C[6a]N[5])2(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	106.6740	0.000	1	107.2664	0.163	12	107.2664	0.163	12	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5]C[6a]N[5])2(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	107.3203	0.376	11	107.2664	0.163	12	107.2664	0.163	12	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Co<5>,1|B<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Co<5>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	105.9764	0.247	15	105.9764	0.061	15	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Cu<5>,1|B<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Cu<5>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	105.9576	0.438	5	105.9576	0.192	5	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|B<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<5>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	106.1059	0.500	48	106.1236	0.239	54	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|B<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<6>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	106.3748	0.334	5	106.1236	0.239	54	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Fe<7>,1|B<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<7>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	105.7200	0.000	1	106.1236	0.239	54	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Mn<6>,1|B<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Mn<6>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	105.9497	0.216	3	105.9497	0.047	3	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Ni<4>,1|B<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ni<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	106.1070	0.000	1	106.2433	0.345	10	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Ni<5>,1|B<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ni<5>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	106.2584	0.620	9	106.2433	0.345	10	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Cu<3>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Cu<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	106.7690	0.057	2	106.7690	0.003	2	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Fe<5>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	106.2055	0.202	2	106.5238	0.165	4	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Fe<6>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	106.8420	0.223	2	106.5238	0.165	4	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Ni<6>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	106.9142	0.353	4	106.9142	0.125	4	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	105.7060	0.000	1	105.4836	6.242	5	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	105.4280	2.881	4	105.4836	6.242	5	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Pt<4>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pt<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	105.7600	0.000	1	105.7600	0.000	1	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Re<6>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Re<6>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	107.0185	0.115	2	107.0185	0.013	2	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Rh<6>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Rh<6>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	105.9560	0.000	1	105.9560	0.000	1	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Co<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){3|C<3>,3|H<1>}	106.3935	0.060	2	106.3935	0.004	2	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Er<8>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Er<8>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H){3|C<3>,3|H<1>}	106.3570	0.000	1	106.3570	0.000	1	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<5>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	106.9670	0.000	1	106.5380	0.084	4	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<5>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){3|C<3>,3|H<1>}	106.3935	0.087	2	106.5380	0.084	4	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){3|C<3>,3|H<1>}	106.3980	0.000	1	106.5380	0.084	4	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Ir<8>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<8>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){2|H<1>,3|C<3>}	106.2930	0.351	2	106.2930	0.123	2	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Mn<5>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<5>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	106.8010	0.313	2	106.7220	0.068	3	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Mn<6>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	106.5640	0.000	1	106.7220	0.068	3	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Pt<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pt<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H){3|C<3>,3|H<1>}	106.6190	1.248	4	106.6190	1.557	4	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Rh<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Rh<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H){3|C<3>,3|H<1>}	107.3275	0.291	2	107.3275	0.084	2	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Sb<6>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Sb<6>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	106.6970	0.342	4	106.6970	0.117	4	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Yb<8>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Yb<8>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H){3|C<3>,3|H<1>}	107.0080	0.000	1	107.0080	0.000	1	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Zn<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){3|C<3>,3|H<1>}	104.7247	1.857	3	104.7247	3.449	3	106.1970	0.592	132	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<6>,2|H<1>,3|C<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	105.7170	0.000	1	105.7170	0.000	1	105.3773	0.087	3	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,2|H<1>,3|C<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	105.2150	0.000	1	105.2150	0.000	1	105.3773	0.087	3	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<6>,2|H<1>,3|C<3>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	105.2000	0.000	1	105.2000	0.000	1	105.3773	0.087	3	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:N-3:	C[5](C[5]C[6a]N[5])(C[5]N[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(NHH)	C[5](C[5]C[6a]N[5])(C[5]N[5]N)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(NHH){1|C<3>,1|H<1>}	106.1103	0.154	3	106.1103	0.024	3	106.1103	0.024	3	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|B<4>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<6>,2|H<1>,3|C<3>}	106.8360	0.000	1	106.8360	0.000	1	106.8360	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){2|Al<4>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H){1|Al<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H){1|Al<4>,2|H<1>,3|C<3>}	106.4720	0.000	1	106.4720	0.000	1	105.3649	0.280	20	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Li)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Al<4>,1|Li<4>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H){1|Li<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Li)(C[5]C[5]H){1|Al<4>,2|H<1>,3|C<3>}	105.4503	0.099	3	105.4503	0.010	3	105.3649	0.280	20	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Er<8>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H){2|H<1>,3|C<3>}	105.6060	0.096	2	105.6060	0.009	2	105.3649	0.280	20	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){2|Ir<6>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|Ir<6>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|Ir<6>,2|H<1>,3|C<3>}	105.0040	0.000	1	105.0040	0.000	1	105.3649	0.280	20	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mg)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mg)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){2|Mg<5>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mg)(C[5]C[5]H){1|Mg<5>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mg)(C[5]C[5]H){1|Mg<5>,2|H<1>,3|C<3>}	104.9125	0.146	2	104.9125	0.021	2	105.3649	0.280	20	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){2|Pd<4>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){1|Pd<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){1|Pd<4>,2|H<1>,3|C<3>}	104.7065	0.931	2	104.7065	0.867	2	105.3649	0.280	20	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){2|Pt<4>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H){1|Pt<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H){1|Pt<4>,2|H<1>,3|C<3>}	105.8760	0.000	1	105.8760	0.000	1	105.3649	0.280	20	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Yb<8>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H){2|H<1>,3|C<3>}	105.8685	0.288	2	105.8685	0.083	2	105.3649	0.280	20	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Zn<3>,1|Zn<4>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|Zn<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|Zn<4>,2|H<1>,3|C<3>}	105.2345	0.367	6	105.2345	0.134	6	105.3649	0.280	20	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|Mn<6>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<6>,1|H<1>,1|O<2>,3|C<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(COO){1|Mn<6>,1|C<3>}	104.9190	0.000	1	104.9190	0.000	1	104.9190	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	N[5,5a]-3:C[6a]-3:C[5]-3:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5](C[5]N[5,5a]C[6a])2(H)	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,5a]N[5,5a]B[5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]N[5,5a]C[6a])2(H){1|B<4>,5|C<3>}	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,2|H<1>,5|C<3>}	C[5](N[5,5a]N[5,5a]B[5a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	107.7237	0.241	4	107.7237	0.058	4	107.7237	0.058	4	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHN)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHN)	C[5](C[5]N[5]C)2(H){2|Cu<5>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHN){1|Cu<5>,1|C<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHN){1|Cu<5>,1|C<3>}	103.5123	0.333	3	103.5123	0.111	3	103.7780	0.192	6	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)2(H){2|Cu<5>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO){1|Cu<5>,1|C<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO){1|Cu<5>,1|C<3>}	104.2170	0.369	2	104.2170	0.136	2	103.7780	0.192	6	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Sn)(C[5]C[5]H)(COO)	C[5](N[5]N[5]Sn)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)2(H){2|Sn<7>}	C[5](N[5]N[5]Sn)(C[5]C[5]H)(COO){1|Sn<7>,1|C<3>}	C[5](N[5]N[5]Sn)(C[5]C[5]H)(COO){1|Sn<7>,1|C<3>}	103.6970	0.000	1	103.6970	0.000	1	103.7780	0.192	6	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pd<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){2|H<1>,4|C<3>}	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	P[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(H)	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]P[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(H){1|H<1>,5|C<3>}	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]P[5]H){2|H<1>,4|C<3>}	115.5020	0.000	1	115.5020	0.000	1	115.5020	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-1:	C-3:C[5]-3:C[5]-3:	C-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)2(O)	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O)	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)2(O){2|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O){2|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O){2|C<3>}	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[5,5]-3:C[6a]-3:C[5]-3:	N[5,5]-3:C[5]-3:C-3:	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]C)(O)	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]O)(CCH)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]C)(O){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]O)(CCH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])2(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])2(O){6|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|H<1>,6|C<3>}	108.1150	0.000	1	107.6965	0.350	2	107.6965	0.350	2	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])2(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])2(O){6|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	107.2780	0.000	1	107.6965	0.350	2	107.6965	0.350	2	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(COO)	C[5](C[5]C[5]C)2(O){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(COO){4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(COO){4|C<3>}	105.4160	0.352	2	105.4160	0.124	2	105.4160	0.124	2	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5]O)2(CCC)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5]O)2(CCC){2|C<3>}	107.0820	0.716	2	107.0820	0.512	2	107.0820	0.512	2	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(O)	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	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])2(O){6|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>}	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>}	106.5310	0.000	1	106.5310	0.000	1	107.2193	0.463	4	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(O){6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	107.4487	0.616	3	107.4487	0.379	3	107.2193	0.463	4	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(O){1|C<4>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|H<1>,4|C<3>}	107.3470	0.000	1	107.3470	0.000	1	107.3470	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CSiH)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CSiH){1|C<3>,1|H<1>}	106.2470	0.000	1	106.2470	0.000	1	106.2470	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CSiH)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CSiH){1|H<1>,3|C<3>}	106.1350	0.000	1	106.1350	0.000	1	106.1350	0.000	1	107.2069	4.688	401	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(Br)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]Br)(C[5]C[5]H)(PC[6a]2O)	C[5](C[5]C[5]C)(C[5]C[5]P)(Br){1|C<3>,1|H<1>}	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH){1|H<1>,1|P<4>}	C[5](C[5]C[5]Br)(C[5]C[5]H)(PC[6a]2O){2|C<3>}	110.7180	0.000	1	110.7180	0.000	1	111.2467	0.281	3	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(Br)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]Br)2(PC[6a]2O)	C[5](C[5]C[5]C)(C[5]C[5]P)(Br){1|Br<1>,1|C<3>}	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH){1|Br<1>,1|P<4>}	C[5](C[5]C[5]Br)2(PC[6a]2O){2|C<3>}	111.5110	0.379	2	111.5110	0.144	2	111.2467	0.281	3	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[4a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(H)	C[5](C[4a]C[4a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(H){4|C<3>}	C[5](C[4a]C[4a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,2|C<3>,2|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|C<3>}	111.4900	0.000	1	111.4900	0.000	1	111.4900	0.000	1	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:B-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]B)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	C[5](C[5]C[5,6a]B)(C[5]C[5,6a]C)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<3>,1|H<1>,2|C<3>}	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3)	C[5](C[5]C[5,6a]C)2(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCN){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3){1|H<1>,3|C<3>}	109.6837	0.097	3	109.6837	0.009	3	109.6126	0.020	5	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3)	C[5](C[5]C[5,6a]C)2(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]N){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3){1|H<1>,3|C<3>}	109.5060	0.156	2	109.5060	0.024	2	109.6126	0.020	5	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CSeO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]OO)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]S)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CSeO){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]OO){1|H<1>,3|C<3>}	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]P)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,3|H<1>,4|C<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>}	111.1190	0.249	2	111.1190	0.062	2	111.1190	0.062	2	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]C[5]C)2(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CC3){1|C<3>,1|C<4>}	108.5850	0.000	1	108.5850	0.000	1	110.1081	0.807	11	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]H)2(CHHO)	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CHHO){2|C<3>}	108.8605	0.071	2	108.8605	0.005	2	110.1081	0.807	11	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CC3){2|C<3>}	110.6104	0.297	8	110.6104	0.088	8	110.1081	0.807	11	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]Br)(C[5]C[5]H)(PC[6a]2O)	C[5](C[5]C[5]C)(C[5]C[5]P)(H){1|Br<1>,1|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|Br<1>,1|P<4>}	C[5](C[5]C[5]Br)(C[5]C[5]H)(PC[6a]2O){2|C<3>}	110.2730	0.000	1	110.2730	0.000	1	109.2145	2.241	2	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO)	C[5](C[5]C[5]H)2(PC[6a]3)	C[5](C[5]C[5]C)(C[5]C[5]P)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)2(PC[6a]3){2|C<3>}	108.1560	0.000	1	108.1560	0.000	1	109.2145	2.241	2	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:S-4:	C[5](C[5]C[5]C)(C[5]C[5]S)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]H)2(SC[6a]OO)	C[5](C[5]C[5]C)(C[5]C[5]S)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){1|H<1>,1|S<4>}	C[5](C[5]C[5]H)2(SC[6a]OO){2|C<3>}	107.6075	0.301	2	107.6075	0.090	2	107.6075	0.090	2	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	106.9260	0.000	1	106.9260	0.000	1	106.9260	0.000	1	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Cd)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){1|Cd<7>,1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Cd)(C[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<7>,1|C<3>}	105.6100	0.033	2	105.6100	0.001	2	105.6100	0.001	2	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ag<5>,1|C<3>}	106.9965	0.228	2	106.9965	0.052	2	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Cu<4>,1|C<3>}	105.5890	0.000	1	105.5890	0.000	1	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(CF3){1|Cu<4>,1|C<3>}	105.0100	0.000	1	105.0100	0.000	1	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCHH)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(CCHH){1|Eu<13>,1|C<3>}	106.1745	0.433	2	106.1745	0.188	2	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Eu<13>,1|C<3>}	106.0215	0.317	2	106.0215	0.101	2	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Fe<4>,1|C<3>}	106.0028	0.323	9	105.9175	0.197	20	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Fe<5>,1|C<3>}	105.8477	0.529	11	105.9175	0.197	20	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Fe<6>,1|C<3>}	105.5140	0.359	6	105.5140	0.129	6	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<3>}	105.7475	0.952	4	105.7475	0.906	4	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Ir<6>,1|C<3>}	106.0286	0.859	5	106.0286	0.739	5	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Rh<6>,1|C<3>}	106.1330	0.000	1	106.1330	0.000	1	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<3>}	105.2140	0.378	2	105.2140	0.143	2	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Ru<9>,1|C<3>}	106.9460	0.000	1	106.9460	0.000	1	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Sm<13>,1|C<3>}	105.7630	0.098	2	105.7630	0.010	2	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<3>}	105.9500	0.216	12	105.8826	0.096	18	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|N<3>,2|C<3>}	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[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<3>}	106.5310	0.000	1	105.8826	0.096	18	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	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)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	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>}	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[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<5>,1|C<3>}	105.5910	0.232	5	105.8826	0.096	18	105.8876	0.286	67	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	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)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHP)	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>}	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[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHP){1|Ir<6>,1|C<3>}	103.9930	0.000	1	103.9930	0.000	1	104.2160	0.051	3	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	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)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	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>}	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[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<4>,1|C<3>}	104.4460	0.000	1	104.3275	0.028	2	104.2160	0.051	3	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	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)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){2|Rh<4>,1|C<3>,1|N<3>}	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[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<4>,1|C<3>}	104.2090	0.000	1	104.3275	0.028	2	104.2160	0.051	3	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|C<3>}	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	107.2770	0.000	1	107.2770	0.000	1	107.2770	0.000	1	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Co<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|B<4>,1|C<3>}	106.6410	0.000	1	106.6410	0.000	1	105.8796	1.084	13	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Cu<4>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|B<4>,1|C<3>}	104.6170	0.000	1	104.6170	0.000	1	105.8796	1.084	13	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	106.3910	0.048	2	106.3910	0.002	2	105.8796	1.084	13	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	106.8760	0.000	1	106.8760	0.000	1	105.8796	1.084	13	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ir<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	105.1770	1.921	3	105.1770	3.690	3	105.8796	1.084	13	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	106.3590	0.000	1	106.3590	0.000	1	105.8796	1.084	13	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<5>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	105.7520	0.000	1	105.7520	0.000	1	105.8796	1.084	13	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHN)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<6>,2|C<3>,3|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHN){1|C<3>,1|H<1>}	105.9590	0.310	3	105.9590	0.096	3	105.8796	1.084	13	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<5>,1|C<3>}	106.4763	0.871	23	106.4763	0.759	23	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<3>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<3>,1|C<3>}	106.0040	0.000	1	106.2491	0.168	19	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<4>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<4>,1|C<3>}	105.9450	0.112	3	106.2491	0.168	19	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<5>,1|B<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<5>,1|C<3>}	106.0440	0.192	3	106.2491	0.168	19	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<5>,1|C<3>}	106.2271	0.381	9	106.2491	0.168	19	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<6>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<3>}	106.9057	0.058	3	106.2491	0.168	19	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<3>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<3>,1|C<3>}	105.7150	0.000	1	106.2560	0.100	11	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<4>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<4>,1|C<3>}	106.2236	0.232	7	106.2560	0.100	11	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<5>,1|C<3>}	106.5120	0.302	3	106.2560	0.100	11	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|C<3>}	106.8167	0.651	4	106.8167	0.424	4	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<3>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<3>,1|C<3>}	105.9760	0.000	1	106.2747	0.088	65	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<4>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<4>,1|C<3>}	106.2593	0.316	30	106.2747	0.088	65	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<4>,1|H<1>,1|O<3>,2|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<3>}	106.7510	0.000	1	106.2747	0.088	65	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<3>}	106.2657	0.280	30	106.2747	0.088	65	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<6>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<3>}	106.4590	0.153	3	106.2747	0.088	65	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<3>}	106.9437	0.297	3	106.9437	0.088	3	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Rh<4>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<3>}	106.4415	0.500	2	106.4415	0.250	2	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<8>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Ru<8>,1|C<3>}	107.9300	1.146	2	107.9300	1.312	2	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<3>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<3>,1|C<3>}	105.9140	0.000	1	106.2306	0.200	118	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<4>,1|C<3>}	106.2932	0.542	9	106.2306	0.200	118	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<4>,1|C<3>}	106.4242	0.404	32	106.2306	0.200	118	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<5>,1|C<3>}	106.0832	0.825	6	106.2306	0.200	118	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<5>,1|B<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<5>,1|C<3>}	106.1512	0.393	70	106.2306	0.200	118	106.3012	0.251	247	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<5>,1|Mn<6>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|Mn<6>,1|C<3>}	106.3280	0.000	1	106.2600	0.082	8	106.2600	0.082	8	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<5>,1|Mn<6>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|Mn<5>,1|C<3>}	105.6820	0.000	1	106.2600	0.082	8	106.2600	0.082	8	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|Mn<5>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|Mn<5>,1|C<3>}	106.4527	0.135	4	106.2600	0.082	8	106.2600	0.082	8	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|Mn<6>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|Mn<6>,1|C<3>}	106.1295	0.029	2	106.2600	0.082	8	106.2600	0.082	8	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(NCH)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](C[5]N[5]C)(C[5]N[5]N)(H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|C<3>,1|N<3>}	106.5840	0.000	1	106.5840	0.000	1	106.5840	0.000	1	106.4924	1.538	372	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|H<1>,4|C<3>}	108.8122	1.529	9	108.8122	2.337	9	108.9995	2.428	10	108.9995	2.428	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H){1|H<1>,1|P<4>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H){2|H<1>,4|C<3>}	110.6850	0.000	1	110.6850	0.000	1	108.9995	2.428	10	108.9995	2.428	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]U)	C[5](C[5]N[5]CU)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|U<11>,1|C<4>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]U){1|C<4>,1|H<1>}	C[5](C[5]N[5]CU)(C[5]C[5]H)(H){1|C<3>}	107.1393	0.515	6	107.1393	0.266	6	107.1393	0.266	6	108.9741	2.855	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]C){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){2|C<3>}	108.2843	0.476	3	108.2843	0.227	3	109.0125	2.272	4	108.9741	2.855	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H){1|O<1>,3|C<3>}	111.1970	0.000	1	111.1970	0.000	1	109.0125	2.272	4	108.9741	2.855	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CCC){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<3>,1|O<1>}	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	108.9741	2.855	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|N<3>,1|O<1>}	109.6483	0.869	4	109.6483	0.754	4	109.8828	0.841	5	108.9741	2.855	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(NC[6a]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<3>}	110.8210	0.000	1	110.8210	0.000	1	109.8828	0.841	5	108.9741	2.855	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H){1|N<3>,3|C<3>}	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	108.9741	2.855	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]W)	C[5](C[5]C[6a]N[5]W)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|W<6>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]W){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]W)(C[5]C[5]H)(H){3|C<3>}	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	108.9741	2.855	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]N[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(O)	C[5](C[5]N[5,5]C[6a])(C[5]C[5,5]O)(H){1|O<2>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]H)(O){4|C<3>}	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	108.9741	2.855	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H){1|C<4>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O){1|C<4>,2|H<1>,4|C<3>}	109.1280	0.000	1	109.1310	0.000	2	109.1310	0.000	2	108.9741	2.855	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H){5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O){1|H<1>,1|N<2>,4|C<3>}	109.1340	0.000	1	109.1310	0.000	2	109.1310	0.000	2	108.9741	2.855	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])2(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,5]C[6a])2(H){1|C<4>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	112.1190	0.124	2	112.1190	0.015	2	112.1190	0.015	2	112.5101	4.951	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(COO)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]H)(CSS)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|O<2>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]C)(COO){1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[5]H)(CSS){4|C<3>}	111.1690	0.000	1	111.1690	0.000	1	110.1647	0.784	3	112.5101	4.951	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(COO)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CHO)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(COO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(CHO){2|C<3>}	109.4970	0.000	1	109.4970	0.000	1	110.1647	0.784	3	112.5101	4.951	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(COO)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]C)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(COO){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]C){2|C<3>}	109.8280	0.000	1	109.8280	0.000	1	110.1647	0.784	3	112.5101	4.951	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC){4|C<3>}	112.4960	0.000	1	112.4960	0.000	1	112.4960	0.000	1	112.5101	4.951	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N-3:	Si[5]-4:C[5]-3:N-3:	C[5](C[5]Si[5]N)(C[5]N[5]N)(H)	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC)	C[5](Si[5]N[5]NN)(C[5]C[5]H)(NCC)	C[5](C[5]Si[5]N)(C[5]N[5]N)(H){1|C<3>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC){1|N<2>,2|C<3>,2|N<3>}	C[5](Si[5]N[5]NN)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	115.2450	0.000	1	115.2450	0.000	1	115.1210	0.384	3	112.5101	4.951	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N-3:	Si[5]-4:C[5]-3:N-3:	C[5](C[5]Si[5]N)(C[5]N[5]N)(H)	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC)	C[5](Si[5]N[5]NP)(C[5]C[5]H)(NCC)	C[5](C[5]Si[5]N)(C[5]N[5]N)(H){1|C<3>,1|N<2>,1|P<3>}	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC){1|N<2>,1|N<3>,1|P<3>,2|C<3>}	C[5](Si[5]N[5]NP)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	115.6690	0.000	1	115.6690	0.000	1	115.1210	0.384	3	112.5101	4.951	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N-3:	Si[5]-4:C[5]-3:N-3:	C[5](C[5]Si[5]N)(C[5]N[5]N)(H)	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC)	C[5](Si[5]N[5]SiN)(C[5]C[5]H)(NCC)	C[5](C[5]Si[5]N)(C[5]N[5]N)(H){1|Si<4>,1|C<3>,1|N<2>}	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC){1|Si<4>,1|N<2>,1|N<3>,2|C<3>}	C[5](Si[5]N[5]SiN)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	114.4490	0.000	1	114.4490	0.000	1	115.1210	0.384	3	112.5101	4.951	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5,6]C)(H)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5,6]C)(H){5|C<3>}	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	110.8560	0.205	2	110.8560	0.042	2	110.8560	0.042	2	110.8560	0.042	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<3>}	C[5](C[5]C[6]O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|C<4>}	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]H)(N[5]C[5])(CCH)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH){1|N<3>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CCH){1|C<3>,1|C<4>}	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:2:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3)	C[5](C[5]C[5]H)(N[5]C[5])(CC3)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|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>}	C[5](C[5]C[5]H)(N[5]C[5])(CC3){1|C<3>,1|C<4>}	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(CCCH)	C[5](C[5]C[5]Br)(N[5]N[5]Cr)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Cr<5>,1|B<4>}	C[5](C[5]C[5]Br)(N[5]N[5]B)(CCCH){1|Cr<5>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]Cr)(H){1|B<4>,1|C<4>}	107.9710	0.000	1	107.9710	0.000	1	107.2081	0.327	9	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Cr)(CCCH)	C[5](C[5]C[5]Br)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Cr<5>,1|B<4>}	C[5](C[5]C[5]Br)(N[5]N[5]Cr)(CCCH){1|B<4>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]B)(H){1|Cr<5>,1|C<4>}	107.1885	0.333	4	107.1885	0.111	4	107.2081	0.327	9	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CCCH)	C[5](C[5]C[5]Br)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Fe<4>,1|B<4>}	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CCCH){1|B<4>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]B)(H){1|Fe<4>,1|C<4>}	107.4735	0.579	2	107.4735	0.335	2	107.2081	0.327	9	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Mn)(CCCH)	C[5](C[5]C[5]Br)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Mn<4>,1|B<4>}	C[5](C[5]C[5]Br)(N[5]N[5]Mn)(CCCH){1|B<4>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]B)(H){1|Mn<4>,1|C<4>}	106.6005	0.695	2	106.6005	0.483	2	107.2081	0.327	9	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl){1|C<4>,1|O<1>}	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	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](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|P<4>,2|C<3>}	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>}	110.6050	0.000	1	110.6050	0.000	1	109.8983	0.550	4	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>}	109.1360	0.000	1	109.1360	0.000	1	109.8983	0.550	4	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCOY)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCOY){2|H<1>}	C[5](C[5]C[5]H)2(H){2|C<4>}	109.9260	0.754	2	109.9260	0.568	2	109.8983	0.550	4	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]H)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	109.0060	0.000	1	109.0060	0.000	1	109.0060	0.000	1	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(PC[6a]3)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(PC[6a]3){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<3>,1|P<4>}	108.6005	0.073	2	108.6005	0.005	2	108.6005	0.005	2	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-1:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]W)(C)	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<7>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<1>,1|W<7>}	C[5](C[5]C[5]H)(N[5]N[5]W)(C){1|B<4>,1|C<4>}	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|C<4>,1|H<1>}	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){2|C<4>}	106.5028	0.301	11	106.5028	0.090	11	106.1125	0.183	44	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ru<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(H){2|C<4>}	106.5937	0.259	3	106.5937	0.067	3	106.1125	0.183	44	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Cu<6>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.9535	0.329	2	105.9535	0.108	2	106.1125	0.183	44	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Fe<6>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.9513	0.323	4	105.9513	0.104	4	106.1125	0.183	44	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Pd<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Pd<4>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.7635	0.346	4	105.7635	0.120	4	106.1125	0.183	44	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Zn<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Zn<4>,1|H<1>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.8918	0.289	12	105.8918	0.084	12	106.1125	0.183	44	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Ni<5>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	106.0170	0.000	1	106.0170	0.000	1	106.1125	0.183	44	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mn<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|H<1>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	106.0535	0.255	2	106.0535	0.065	2	106.1125	0.183	44	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mo<7>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<7>,1|H<1>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.7665	0.425	2	105.7665	0.181	2	106.1125	0.183	44	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.8980	0.767	2	105.8980	0.588	2	106.1125	0.183	44	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Os)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Os<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Os<6>,1|H<1>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	106.7150	0.000	1	106.7150	0.000	1	106.1125	0.183	44	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<5>,1|B<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<5>,1|C<4>}	105.8023	0.356	3	105.8158	0.066	6	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<6>,1|B<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<6>,1|C<4>}	105.8293	0.191	3	105.8158	0.066	6	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<5>,1|B<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<5>,1|C<4>}	105.3560	0.254	9	105.3824	0.052	12	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<6>,1|B<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<6>,1|C<4>}	105.4617	0.133	3	105.3824	0.052	12	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]H)(N[5]N[5]P)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<4>,1|P<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC3){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(N[5]N[5]P)(H){1|Cu<4>,1|C<4>}	106.3723	0.339	3	106.3723	0.115	3	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<5>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|C<4>}	105.3105	0.224	2	105.3105	0.050	2	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	106.2995	0.037	2	106.2995	0.001	2	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|B<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|C<4>}	105.6038	0.322	35	105.6038	0.104	35	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	104.4900	0.201	2	104.4900	0.040	2	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Li<3>,1|B<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Li<3>,1|C<4>}	105.1537	0.175	3	105.1888	0.026	5	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Li<4>,1|B<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Li<4>,1|C<4>}	105.2415	0.183	2	105.1888	0.026	5	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mn<6>,1|C<4>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|C<4>}	105.6800	0.093	2	105.6800	0.009	2	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mo<6>,1|B<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CCCH){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<6>,1|C<4>}	105.9557	0.909	68	105.9557	0.825	68	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<5>,1|C<4>}	105.5997	0.142	3	105.5950	0.026	9	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|B<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<6>,1|C<4>}	105.5927	0.182	6	105.5950	0.026	9	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]2H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|B<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]2H){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<6>,1|C<4>}	105.2080	0.414	3	105.2080	0.172	3	105.7397	0.500	149	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|Ni<5>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|B<4>,1|C<4>}	106.1770	0.000	1	106.1770	0.000	1	105.8688	0.843	16	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Pd<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|C<3>,1|C<4>}	106.3820	0.675	6	106.3820	0.455	6	105.8688	0.843	16	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|Cu<5>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN){1|Cu<5>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(H){1|Cu<5>,1|C<4>}	104.2230	0.000	1	104.2230	0.000	1	105.8688	0.843	16	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CN[6]HH)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|Ir<5>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CN[6]HH){1|Ir<5>,1|H<1>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(H){1|Ir<5>,1|C<4>}	104.9465	0.734	4	104.9465	0.538	4	105.8688	0.843	16	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|Pd<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3){1|Pd<4>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(H){1|Pd<4>,1|C<4>}	106.3555	0.091	4	106.3555	0.008	4	105.8688	0.843	16	106.0370	1.062	229	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]H)(N[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]H)(CCH){1|C<4>,1|O<1>}	109.6230	0.085	2	109.6230	0.007	2	109.6230	0.007	2	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(PC[6a]3)	C[5](C[5]C[5]H)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]P)(H){2|H<1>}	C[5](C[5]C[5]H)2(PC[6a]3){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(CCH){1|H<1>,1|P<4>}	107.8950	0.000	1	107.8950	0.000	1	107.8950	0.000	1	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]H)(NCH)	C[5](C[5]N[5]C)(C[5]N[5]N)(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(N[5]N[5]H)(NCH){1|C<4>,1|H<1>}	106.0464	0.263	5	106.0464	0.069	5	106.0464	0.069	5	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCC)	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<5>,1|C<3>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCC){1|B<4>,1|C<4>}	106.3090	0.000	1	106.3090	0.000	1	105.4616	0.355	32	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CNO)	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cu<4>,1|C<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CNO){1|B<4>,1|C<4>}	105.6742	0.390	6	105.6742	0.152	6	105.4616	0.355	32	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<3>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(COO){1|B<4>,1|C<4>}	105.4990	0.294	5	105.4990	0.087	5	105.4616	0.355	32	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO){2|C<4>}	105.8290	0.257	2	105.8290	0.066	2	105.4616	0.355	32	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHN)	C[5](C[5]N[5]C)2(H){1|Co<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<6>,1|C<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHN){1|C<4>,1|H<1>}	103.4900	0.000	1	103.4900	0.000	1	105.4616	0.355	32	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO)	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(COO){1|C<4>,1|H<1>}	106.7100	0.000	1	106.7100	0.000	1	105.4616	0.355	32	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHN)	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<3>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHN){1|C<4>,1|H<1>}	104.4400	0.065	2	104.4400	0.004	2	105.4616	0.355	32	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CNO)	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|C<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CNO){1|C<4>,1|H<1>}	105.3942	0.266	12	105.3942	0.071	12	105.4616	0.355	32	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHN)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<3>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHN){1|C<4>,1|H<1>}	105.7265	0.248	2	105.7265	0.062	2	105.4616	0.355	32	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CNO)	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Mn<6>,1|N<2>,2|C<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CNO){1|C<3>,1|C<4>}	108.3767	0.455	6	108.3767	0.207	6	108.3767	0.207	6	106.1392	1.877	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(CF3)	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CF3)	C[5](C[5]N[5]C)2(Br){1|Cu<4>,1|B<4>}	C[5](C[5]C[5]Br)(N[5]N[5]B)(CF3){1|Cu<4>,1|C<4>}	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CF3){1|B<4>,1|C<4>}	105.3293	0.456	3	105.3293	0.208	3	107.4453	1.471	15	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3)	C[5](C[5]N[5]C)2(Br){1|Fe<4>,1|C<4>}	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3){2|C<4>}	107.9142	0.142	4	107.9868	0.041	5	107.4453	1.471	15	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3)	C[5](C[5]N[5]C)2(Br){1|Fe<5>,1|C<4>}	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3){2|C<4>}	108.2770	0.000	1	107.9868	0.041	5	107.4453	1.471	15	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3)	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3)	C[5](C[5]N[5]C)2(Br){2|Cu<5>}	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3){1|Cu<5>,1|C<4>}	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3){1|Cu<5>,1|C<4>}	107.1990	0.000	1	107.1990	0.000	1	107.4453	1.471	15	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3)	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(Br){1|Cu<5>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<4>}	107.7800	0.663	4	107.7800	0.440	4	107.4453	1.471	15	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3)	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(Br){1|Fe<5>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Fe<5>,1|C<4>}	108.8660	0.000	1	108.7190	0.043	2	107.4453	1.471	15	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3)	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(Br){1|Fe<6>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	108.5720	0.000	1	108.7190	0.043	2	107.4453	1.471	15	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Br-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Br)	C[5](N[5]C[6a]N[5])(C[5]C[5]Br)(CH3)	C[5](C[5]C[5]Br)(N[5]N[5]Pd)(CH3)	C[5](C[5]N[5]C)2(Br){1|Pd<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]Br)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C[5](C[5]C[5]Br)(N[5]N[5]Pd)(CH3){1|C<3>,1|C<4>}	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]Cl)(N[5]N[5]Ni)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Ni<6>,1|B<4>}	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	C[5](C[5]C[5]Cl)(N[5]N[5]Ni)(CH3){1|B<4>,1|C<4>}	107.7512	0.246	6	107.7512	0.060	6	107.9114	0.107	11	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]Cl)(N[5]N[5]Rh)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Rh<4>,1|B<4>}	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<4>}	C[5](C[5]C[5]Cl)(N[5]N[5]Rh)(CH3){1|B<4>,1|C<4>}	107.7625	0.033	2	107.7625	0.001	2	107.9114	0.107	11	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]Cl)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(Cl){1|B<4>,1|W<7>}	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	C[5](C[5]C[5]Cl)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	108.1690	0.000	1	108.1690	0.000	1	107.9114	0.107	11	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Fe<5>,1|C<4>}	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3){2|C<4>}	108.3770	0.000	1	108.3770	0.000	1	107.9114	0.107	11	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3)	C[5](C[5]C[5]Cl)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(Cl){1|Fe<6>,1|H<1>}	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]Cl)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	108.4470	0.000	1	108.4470	0.000	1	107.9114	0.107	11	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]C)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3)	C[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]C)2(H){1|B<4>,1|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>}	C[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|F<1>}	108.2490	0.628	2	108.2490	0.394	2	108.2490	0.394	2	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[5]-3:Si-4:	C[5](C[5]C[5,6a]Si)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SiC3)	C[5](C[5]C[5,6a]Si)2(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	113.1305	0.237	2	113.1305	0.056	2	113.1305	0.056	2	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>}	112.5840	0.000	1	112.5840	0.000	1	111.7068	0.313	5	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CC3){1|C<3>,1|C<4>}	111.1170	0.000	1	111.1170	0.000	1	111.7068	0.313	5	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	111.7750	0.000	1	111.7750	0.000	1	111.7068	0.313	5	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|C<4>}	111.5290	0.260	2	111.5290	0.068	2	111.7068	0.313	5	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]P)2(H)	C[5](C[5]C[5]H)2(PC[6a]2P)	C[5](C[5]C[5]H)2(PC[6a]2P)	C[5](C[5]C[5]P)2(H){2|H<1>}	C[5](C[5]C[5]H)2(PC[6a]2P){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)2(PC[6a]2P){1|H<1>,1|P<4>}	107.6490	0.000	1	107.6490	0.000	1	108.1173	1.395	3	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]P)2(H)	C[5](C[5]C[5]H)2(PC[6a]3)	C[5](C[5]C[5]H)2(PC[6a]3)	C[5](C[5]C[5]P)2(H){2|H<1>}	C[5](C[5]C[5]H)2(PC[6a]3){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)2(PC[6a]3){1|H<1>,1|P<4>}	108.3515	1.569	2	108.3515	2.462	2	108.1173	1.395	3	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]Si)2(H)	C[5](C[5]C[5]H)2(SiC3)	C[5](C[5]C[5]H)2(SiC3)	C[5](C[5]C[5]Si)2(H){2|H<1>}	C[5](C[5]C[5]H)2(SiC3){1|Si<4>,1|H<1>}	C[5](C[5]C[5]H)2(SiC3){1|Si<4>,1|H<1>}	110.5175	0.330	2	110.5175	0.109	2	110.5175	0.109	2	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|B<4>,1|C<4>}	107.4357	0.252	3	107.4357	0.063	3	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|B<4>,1|C<4>}	107.6260	0.394	7	107.6260	0.155	7	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3)	C[5](C[5]N[5]C)2(H){1|B<4>,1|U<8>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|U<8>}	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3){1|B<4>,1|C<4>}	106.4042	2.333	5	106.4042	5.441	5	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(H){1|B<3>,1|W<7>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|B<3>,1|C<4>}	106.8677	0.525	6	106.7416	0.620	498	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	106.7367	0.830	394	106.7416	0.620	498	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<7>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	106.7596	0.624	93	106.7416	0.620	498	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<8>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<8>}	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	106.6462	0.269	5	106.7416	0.620	498	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	C[5](C[5]N[5]C)2(H){1|Y<12>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Y<12>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){1|B<4>,1|C<4>}	106.7077	0.573	3	106.7077	0.328	3	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(H){1|B<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|B<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){2|C<4>}	107.2400	0.000	1	107.2400	0.000	1	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)2(H){2|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){2|C<4>}	108.0160	0.000	1	108.0160	0.000	1	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|C<4>}	106.8755	0.654	2	106.8755	0.428	2	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3)	C[5](C[5]N[5]C)2(H){1|C<4>,1|V<6>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|V<6>}	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3){2|C<4>}	107.4590	0.272	2	107.4590	0.074	2	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(H){1|C<4>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){2|C<4>}	107.5055	1.143	4	107.2412	0.952	6	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(H){1|C<4>,1|W<7>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<7>}	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){2|C<4>}	106.7125	0.026	2	107.2412	0.952	6	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	C[5](C[5]N[5]C)2(H){1|Y<12>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Y<12>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){2|C<4>}	107.1120	0.330	4	107.1120	0.109	4	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](C[5]N[5]C)2(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|C<4>,1|H<1>}	107.4440	0.000	1	107.4440	0.000	1	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(H){2|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	108.3335	1.835	13	108.3335	3.367	13	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(H){1|H<1>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<4>,1|W<6>}	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|C<4>,1|H<1>}	106.9145	0.729	2	106.9145	0.531	2	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3)	C[5](C[5]N[5]C)2(H){1|U<9>}	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3){1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3){1|C<4>}	106.3992	0.778	8	106.3992	0.605	8	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(H){2|W<5>}	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|C<4>,1|W<5>}	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|C<4>,1|W<5>}	106.3630	0.322	2	106.3630	0.104	2	106.8002	0.768	558	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Co<4>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	106.3825	0.111	2	106.3825	0.012	2	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Co<3>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Co<3>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	107.1390	0.765	2	106.6016	0.272	11	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Co<4>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	106.4822	0.422	9	106.6016	0.272	11	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Cr<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<4>,1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	106.5455	0.395	2	106.7969	0.260	34	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<5>,1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	106.5782	0.552	11	106.7969	0.260	34	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<6>,1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	106.9355	0.465	21	106.7969	0.260	34	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Ni<3>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<3>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	107.3855	0.798	2	106.7500	1.173	4	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<5>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	106.1145	1.125	2	106.7500	1.173	4	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	106.9297	0.609	12	106.9297	0.371	12	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ru<6>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	106.7277	1.557	3	106.7277	2.424	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Sm<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Sm<8>,1|C<4>}	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	106.4463	0.073	3	106.4463	0.005	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	106.1340	0.139	6	106.1340	0.019	6	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCHH)	C[5](N[5]N[5]Sr)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]C)2(H){1|Sr<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CCHH){1|Sr<6>,1|C<4>}	C[5](N[5]N[5]Sr)(C[5]C[5]H)(CCHH){1|B<4>,1|C<4>}	105.8257	0.399	6	105.8257	0.159	6	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CF3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CF3){1|Zn<5>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CF3){1|B<4>,1|C<4>}	103.6290	0.199	3	103.6290	0.040	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<4>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	106.6840	0.000	1	106.6840	0.000	1	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<4>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.0872	0.247	4	106.2621	0.185	17	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<5>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.0900	0.191	6	106.2621	0.185	17	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<6>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.5094	0.558	7	106.2621	0.185	17	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Cr<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<4>,1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	106.3513	0.397	6	106.6995	0.300	15	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<5>,1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	106.9317	0.525	9	106.6995	0.300	15	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<6>,1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.9683	0.332	3	106.9683	0.110	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cu<4>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.2900	0.422	12	106.2900	0.178	12	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Eu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Eu<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Eu<6>,1|C<4>}	C[5](N[5]N[5]Eu)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	105.4980	0.000	1	105.4980	0.000	1	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Fe<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<5>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	105.9017	0.138	3	106.9819	0.886	68	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	107.0317	0.932	65	106.9819	0.886	68	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<6>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.6832	0.591	148	106.7372	0.437	160	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ir<7>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<7>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	107.5419	1.213	9	106.7372	0.437	160	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ir<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<8>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.9877	0.157	3	106.7372	0.437	160	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Li<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Li<4>,1|C<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.6720	0.246	3	106.6720	0.060	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mg<4>,1|C<4>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	106.1792	0.338	16	106.1792	0.114	16	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<6>,1|C<4>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.7743	0.400	9	106.7743	0.160	9	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|B<3>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<3>,1|C<4>}	106.3107	0.243	6	106.6009	0.505	177	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.6193	0.757	145	106.6009	0.505	177	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<7>,1|C<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.6081	0.493	20	106.6009	0.505	177	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|B<5>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<7>,1|C<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<5>,1|C<4>}	106.5423	0.455	3	106.6009	0.505	177	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mo<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<8>,1|C<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.3013	0.239	3	106.6009	0.505	177	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CF3){1|B<4>,1|C<4>}	105.3520	0.256	3	105.3520	0.066	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<4>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.4357	0.294	10	106.5521	0.580	45	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.5326	0.482	12	106.5521	0.580	45	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.7370	1.089	18	106.5521	0.580	45	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<7>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<7>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.1658	0.358	5	106.5521	0.580	45	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	107.0451	0.685	8	106.6326	0.468	16	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pd<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<5>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.0195	0.357	2	106.6326	0.468	16	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pd<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<6>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.2868	0.393	6	106.6326	0.468	16	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pt<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<4>,1|C<4>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.7075	0.529	19	106.7532	0.271	27	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pt<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<5>,1|C<4>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	107.3920	0.529	2	106.7532	0.271	27	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pt<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<6>,1|C<4>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.6850	0.409	6	106.7532	0.271	27	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Re<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Re<6>,1|C<4>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.2200	0.973	3	106.2200	0.947	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.4243	0.468	12	106.6248	0.678	155	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Rh<5>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<5>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.4413	0.246	6	106.6248	0.678	155	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<6>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.6504	0.861	137	106.6248	0.678	155	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Sm<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Sm<6>,1|C<4>}	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.1210	0.000	1	105.5340	0.364	7	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Sm<7>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Sm<7>,1|C<4>}	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	105.4362	0.597	6	105.5340	0.364	7	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ta<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<6>,1|C<4>}	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.3932	0.842	9	106.5963	0.407	18	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ta<7>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<7>,1|C<4>}	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.8335	0.222	6	106.5963	0.407	18	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ta<8>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<8>,1|C<4>}	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.7310	0.348	3	106.5963	0.407	18	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ti<6>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ti<6>,1|C<4>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.3477	0.666	3	106.3477	0.444	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	106.5728	0.440	18	106.5728	0.194	18	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.0538	0.225	4	106.0538	0.051	4	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Zr<11>,1|B<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zr<11>,1|C<4>}	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	106.5690	0.064	2	106.5690	0.004	2	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Mg<4>,1|C<4>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3){2|C<4>}	108.6680	0.540	2	108.0463	0.673	4	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Mg<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Mg<5>,1|C<4>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3){2|C<4>}	107.4245	0.426	2	108.0463	0.673	4	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Ni<4>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC3){2|C<4>}	107.2660	0.095	3	107.2660	0.009	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>}	108.1545	0.402	4	107.7973	0.403	6	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3){2|C<4>}	107.0830	0.000	2	107.7973	0.403	6	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CC3){2|C<4>}	107.2575	0.806	4	107.2575	0.650	4	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Co<5>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){2|C<4>}	106.8240	0.031	2	106.8240	0.001	2	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Cu<4>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CCCH){2|C<4>}	107.3153	0.399	7	107.3153	0.159	7	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Ir<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Ir<4>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CCCH){2|C<4>}	106.9680	0.000	1	106.9680	0.000	1	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Rh<4>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CCCH){2|C<4>}	106.9180	0.000	1	106.9180	0.000	1	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Zn<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Zn<6>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){2|C<4>}	106.8375	0.057	2	106.8375	0.003	2	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCHH)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CCHH){1|Ru<9>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	107.8680	0.000	1	107.8680	0.000	1	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Al<4>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.1680	0.174	3	107.1305	0.357	6	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Al<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3){2|C<4>}	107.0930	0.926	3	107.1305	0.357	6	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ca)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ca<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ca<6>,1|C<4>}	C[5](N[5]N[5]Ca)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	106.1970	0.426	3	106.1970	0.181	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	106.7500	0.000	1	106.6534	0.137	18	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3){2|C<4>}	106.6367	0.448	9	106.6534	0.137	18	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cd<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<6>,1|C<4>}	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3){2|C<4>}	106.6601	0.318	8	106.6534	0.137	18	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<4>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){2|C<4>}	107.1621	0.499	14	107.1873	0.593	55	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<5>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){2|C<4>}	107.3196	0.981	27	107.1873	0.593	55	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	106.5570	0.000	1	107.1873	0.593	55	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){2|C<4>}	106.9884	0.445	13	107.1873	0.593	55	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cr<6>,1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){2|C<4>}	107.5901	0.349	18	107.5901	0.121	18	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<3>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){2|C<4>}	106.6151	0.570	10	106.8658	0.363	83	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.2705	0.916	2	106.8658	0.363	83	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){2|C<4>}	106.9313	0.611	45	106.8658	0.363	83	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){2|C<4>}	106.8104	0.603	24	106.8658	0.363	83	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<6>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){2|C<4>}	106.9085	0.120	2	106.8658	0.363	83	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CN[5]HO)	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CN[5]HO){2|C<4>}	106.2740	0.785	2	106.2740	0.616	2	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Er<12>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Er<12>,1|C<4>}	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3){2|C<4>}	106.7187	0.318	3	106.7187	0.101	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Fe<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){2|C<4>}	106.9652	0.279	4	107.1461	0.297	71	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Fe<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){2|C<4>}	106.7953	0.448	3	107.1461	0.297	71	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){2|C<4>}	107.1738	0.558	64	107.1461	0.297	71	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ir<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<4>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){2|C<4>}	106.6030	1.717	2	107.5141	0.709	27	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.3627	0.647	3	107.5141	0.709	27	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){2|C<4>}	107.7004	0.763	19	107.5141	0.709	27	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ir<8>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<8>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){2|C<4>}	107.0933	0.787	3	107.5141	0.709	27	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Li<3>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<3>,1|C<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	106.8870	0.000	1	106.9583	0.159	11	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Li<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<4>,1|C<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){2|C<4>}	107.0146	0.453	8	106.9583	0.159	11	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Li<8>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<8>,1|C<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){2|C<4>}	106.7685	0.211	2	106.9583	0.159	11	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<4>,1|C<4>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){2|C<4>}	106.9653	0.457	10	106.8106	0.240	24	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mg<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<5>,1|C<4>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){2|C<4>}	106.9940	0.025	2	106.8106	0.240	24	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mg<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	106.4290	0.342	2	106.8106	0.240	24	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mg<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){2|C<4>}	106.4958	0.806	4	106.8106	0.240	24	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mg<8>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<8>,1|C<4>}	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){2|C<4>}	106.8288	0.341	6	106.8106	0.240	24	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	108.0370	0.000	1	106.8733	0.267	21	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){2|C<4>}	106.8151	0.455	20	106.8733	0.267	21	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<6>,1|C<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){2|C<4>}	107.4514	0.639	39	107.4178	0.410	41	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<7>,1|C<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){2|C<4>}	106.7635	0.018	2	107.4178	0.410	41	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){2|C<4>}	106.6293	0.726	10	106.8376	0.296	49	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<5>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){2|C<4>}	106.5213	0.565	3	106.8376	0.296	49	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.1050	0.223	3	106.8376	0.296	49	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){2|C<4>}	106.9052	0.488	33	106.8376	0.296	49	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.5083	0.369	3	107.2944	0.573	88	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){2|C<4>}	107.2869	0.767	85	107.2944	0.573	88	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Re<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<6>,1|C<4>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){2|C<4>}	107.2195	0.583	12	107.2072	0.295	14	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Re<8>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<8>,1|C<4>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){2|C<4>}	107.1335	0.284	2	107.2072	0.295	14	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<4>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){2|C<4>}	106.9440	0.000	1	107.5716	0.206	17	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<6>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){2|C<4>}	107.5482	0.424	12	107.5716	0.206	17	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Rh<7>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<7>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){2|C<4>}	107.7990	0.486	4	107.5716	0.206	17	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	108.0170	0.000	1	107.2509	0.228	47	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){2|C<4>}	107.2565	0.481	32	107.2509	0.228	47	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ru<7>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<7>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){2|C<4>}	105.9660	0.000	1	107.2509	0.228	47	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<9>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){2|C<4>}	107.2771	0.298	13	107.2509	0.228	47	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Sc)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Sc<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sc<6>,1|C<4>}	C[5](N[5]N[5]Sc)(C[5]C[5]H)(CH3){2|C<4>}	107.1200	0.000	1	107.1200	0.000	1	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Sm<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sm<6>,1|C<4>}	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){2|C<4>}	106.3797	0.190	3	106.7048	0.256	6	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Sm<7>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sm<7>,1|C<4>}	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){2|C<4>}	107.0300	0.535	3	106.7048	0.256	6	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ti<6>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ti<6>,1|C<4>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3){2|C<4>}	107.1308	0.484	9	107.1308	0.234	9	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.0598	0.428	14	106.9075	0.202	74	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){2|C<4>}	106.8915	0.458	55	106.9075	0.202	74	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<5>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){2|C<4>}	106.9560	0.231	2	106.9075	0.202	74	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Zn<6>,1|C<3>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<6>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	106.4567	0.167	3	106.9075	0.202	74	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Zr<10>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zr<10>,1|C<4>}	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3){2|C<4>}	107.5770	0.150	4	107.5770	0.023	4	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Cr<5>,1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	107.1870	0.000	1	107.1870	0.000	1	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Li<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Li<4>,1|C<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	107.2930	0.000	1	107.2930	0.000	1	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Cr<5>,1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	106.9870	0.740	3	106.9270	0.380	4	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Cr<6>,1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	106.7470	0.000	1	106.9270	0.380	4	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Sm<8>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Sm<8>,1|C<4>}	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	106.3150	0.000	1	106.3150	0.000	1	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CF3){1|C<4>,1|H<1>}	104.0895	0.151	2	104.0895	0.023	2	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.6066	0.305	7	106.5710	0.089	10	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<6>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.4880	0.323	3	106.5710	0.089	10	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<4>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.8670	0.744	3	106.7501	0.372	12	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.7111	0.605	9	106.7501	0.372	12	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Fe<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Fe<4>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	107.0245	0.194	2	107.0245	0.038	2	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ir<6>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.7933	0.711	3	106.7933	0.505	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Li<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Li<4>,1|C<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.4890	0.000	1	106.4890	0.000	1	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|C<4>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.9403	0.354	3	106.9403	0.126	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<6>,1|C<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.8460	0.658	4	106.8104	0.331	5	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<7>,1|C<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.6680	0.000	1	106.8104	0.331	5	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.6795	0.450	2	106.6795	0.203	2	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Os)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Os<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Os<6>,1|C<4>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.6690	0.457	2	106.6690	0.209	2	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	107.2733	0.650	10	107.2733	0.422	10	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pt<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Pt<4>,1|C<4>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.5315	0.261	2	106.5315	0.068	2	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Re<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Re<5>,1|C<4>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	107.5615	0.383	2	107.9799	1.788	12	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Re<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Re<6>,1|C<4>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	108.0636	1.457	10	107.9799	1.788	12	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Rh<6>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.4100	0.000	1	106.4100	0.000	1	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ru<5>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<5>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	105.7090	0.000	1	106.5614	0.225	7	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<6>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.6068	0.232	4	106.5614	0.225	7	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<9>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.8970	0.475	2	106.5614	0.225	7	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	106.8208	0.633	20	106.8208	0.401	20	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|P<3>}	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3){1|Cu<4>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|P<3>}	106.8740	0.218	3	106.8740	0.048	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pd<5>,1|P<3>}	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3){1|Pd<5>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|P<3>}	107.6387	0.912	3	107.6387	0.832	3	106.8514	0.565	1697	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[3,5]-3:C[5]-3:C-4:	N[3,5]-3:C[5]-3:C-4:	C[5](C[5]N[3,5]C)2(H)	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3)	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3)	C[5](C[5]N[3,5]C)2(H){1|Nb<6>}	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3){1|C<4>,2|N<2>,2|N<3>}	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3){1|C<4>,2|N<2>,2|N<3>}	106.3175	0.049	2	106.4845	0.051	4	107.2411	0.565	9	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[3,5]-3:C[5]-3:C-4:	N[3,5]-3:C[5]-3:C-4:	C[5](C[5]N[3,5]C)2(H)	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3)	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3)	C[5](C[5]N[3,5]C)2(H){1|Nb<7>}	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3){1|Cl<1>,1|C<4>,1|N<2>,3|N<3>}	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3){1|Cl<1>,1|C<4>,1|N<2>,3|N<3>}	106.6515	0.200	2	106.4845	0.051	4	107.2411	0.565	9	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[3,5]-3:C[5]-3:C-4:	N[3,5]-3:C[5]-3:C-4:	C[5](C[5]N[3,5]C)2(H)	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3)	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3)	C[5](C[5]N[3,5]C)2(H){1|Nb<8>}	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3){1|C<4>,6|N<3>}	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3){1|C<4>,6|N<3>}	107.6470	0.286	2	107.8464	0.062	5	107.2411	0.565	9	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[3,5]-3:C[5]-3:C-4:	N[3,5]-3:C[5]-3:C-4:	C[5](C[5]N[3,5]C)2(H)	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3)	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3)	C[5](C[5]N[3,5]C)2(H){1|Nb<8>}	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3){2|Cl<1>,1|C<4>,4|N<3>}	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3){2|Cl<1>,1|C<4>,4|N<3>}	107.9793	0.130	3	107.8464	0.062	5	107.2411	0.565	9	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[4,5]-3:C[5]-3:C-4:	N[4,5]-3:C[5]-3:C-4:	C[5](C[5]N[4,5]C)2(H)	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3)	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3)	C[5](C[5]N[4,5]C)2(H){2|Si<5>}	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3){1|Cl<1>,1|Si<5>,1|C<4>,2|N<3>}	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3){1|Cl<1>,1|Si<5>,1|C<4>,2|N<3>}	107.1950	0.000	2	107.1505	0.003	4	107.1505	0.003	4	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[4,5]-3:C[5]-3:C-4:	N[4,5]-3:C[5]-3:C-4:	C[5](C[5]N[4,5]C)2(H)	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3)	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3)	C[5](C[5]N[4,5]C)2(H){2|Si<5>}	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3){1|Si<5>,1|C<4>,3|N<3>}	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3){1|Si<5>,1|C<4>,3|N<3>}	107.1060	0.000	2	107.1505	0.003	4	107.1505	0.003	4	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:C-4:	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CH3)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){1|B<4>,1|N<3>,2|C<4>}	108.1545	0.090	2	108.1545	0.008	2	108.4294	0.564	7	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:C-4:	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<2>,1|O<2>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|O<2>,3|C<3>}	108.8950	0.000	1	108.8335	0.479	4	108.4294	0.564	7	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:C-4:	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<2>,1|S<2>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|S<2>,3|C<3>}	109.1890	0.000	1	108.8335	0.479	4	108.4294	0.564	7	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:C-4:	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<3>,1|S<1>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|N<3>,3|C<3>}	109.4060	0.000	1	108.8335	0.479	4	108.4294	0.564	7	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:C-4:	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|O<2>,2|C<3>,2|C<4>}	107.8440	0.000	1	108.8335	0.479	4	108.4294	0.564	7	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:C-4:	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]Si[5,5]N[5,5])(C[5]C[5]H)(CH3)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,5]C)2(H){1|Si<5>,1|C<3>}	C[5](N[5,5]Si[5,5]N[5,5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){1|Si<5>,1|C<4>,1|N<3>,1|O<1>}	107.3630	0.000	1	107.3630	0.000	1	108.4294	0.564	7	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,5a]-3:C[5]-3:C-4:	N[5,5a]-3:C[5]-3:C-4:	C[5](C[5]N[5,5a]C)2(H)	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,5a]C)2(H){1|B<4>,1|C<3>}	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|N<2>}	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|F<1>}	107.7785	0.590	2	107.7785	0.349	2	108.0403	0.380	3	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,5a]-3:C[5]-3:C-4:	N[5,5a]-3:C[5]-3:C-4:	C[5](C[5]N[5,5a]C)2(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(CC3)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC3)	C[5](C[5]N[5,5a]C)2(H){1|B<4>,1|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|O<1>,1|O<2>}	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC3){1|C<4>,1|O<2>,3|C<3>}	108.5640	0.000	1	108.5640	0.000	1	108.0403	0.380	3	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){2|B<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|B<3>,1|C<4>,2|N<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|B<3>,1|C<4>,2|N<3>}	107.8895	0.250	2	107.8895	0.062	2	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]Ge[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){1|Ge<6>,1|B<4>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Ge<6>,1|C<4>,1|H<1>,2|N<3>}	C[5](N[5,6,6]N[5,6,6]Ge[3x6])(C[5]C[5]H)(CH3){1|B<4>,1|C<4>,2|N<3>,3|N<2>}	107.0207	0.374	3	107.0207	0.140	3	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]In[4x6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){1|In<6>,1|B<4>}	C[5](N[5,6,6]N[5,6,6]In[4x6])(C[5]C[5]H)(CH3){1|Cl<1>,1|B<4>,1|C<4>,2|N<3>,2|O<2>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|In<6>,1|C<4>,1|H<1>,2|N<3>}	106.6920	0.528	3	106.6920	0.279	3	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]Nb[3x6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){1|Nb<6>,1|B<4>}	C[5](N[5,6,6]N[5,6,6]Nb[3x6])(C[5]C[5]H)(CH3){1|Cl<1>,1|B<4>,1|N<2>,2|C<4>,2|N<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|H<1>,2|N<3>}	106.9367	0.519	6	106.9367	0.269	6	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]Nb[4x6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){1|Nb<6>,1|B<4>}	C[5](N[5,6,6]N[5,6,6]Nb[4x6])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|H<1>,2|N<3>}	106.6457	0.469	3	106.6457	0.220	3	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){1|Nb<8>,1|B<4>}	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<2>,1|C<4>,2|N<3>,4|C<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<8>,1|C<4>,1|H<1>,2|N<3>}	106.8490	0.695	3	106.9775	0.291	6	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){1|Nb<8>,1|B<4>}	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<3>,3|C<4>,3|N<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<8>,1|C<4>,1|H<1>,2|N<3>}	107.1060	0.441	3	106.9775	0.291	6	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<2>,2|C<3>,2|C<4>,2|N<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	106.9580	0.399	3	106.7258	0.156	15	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<4>,2|N<3>,4|C<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	106.8967	0.385	3	106.7258	0.156	15	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<3>,2|N<3>,3|C<4>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	106.1270	0.279	3	106.7258	0.156	15	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	106.8237	0.072	6	106.7258	0.156	15	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|C<4>}	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.4755	0.313	2	107.4755	0.098	2	106.9044	0.254	40	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6a]-3:C[5]-3:C-4:	N[5,6,6a]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6a]C)2(H)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CC3)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CC3)	C[5](C[5]N[5,6,6a]C)2(H){2|B<4>}	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.6600	0.000	1	107.6600	0.000	1	106.3880	2.430	3	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6a]-3:C[5]-3:C-4:	N[5,6,6a]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6a]C)2(H)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3)	C[5](C[5]N[5,6,6a]C)2(H){2|B<4>}	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	104.6490	0.000	1	104.6490	0.000	1	106.3880	2.430	3	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5,6,6a]-3:C[5]-3:C-4:	N[5,6,6a]-3:C[5]-3:C-4:	C[5](C[5]N[5,6,6a]C)2(H)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3)	C[5](C[5]N[5,6,6a]C)2(H){2|B<4>}	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.8550	0.000	1	106.8550	0.000	1	106.3880	2.430	3	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3)	C[5](C[5]N[5]C)2(H){1|C<3>,1|V<7>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|V<7>}	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3){1|C<3>,1|C<4>}	107.9275	0.011	2	107.9275	0.000	2	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3)	C[5](C[5]N[5]C)2(H){1|C<3>,1|V<5>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|V<5>}	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3){1|C<3>,1|C<4>}	108.0165	0.460	2	108.0165	0.212	2	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)2(H){1|Ga<5>,1|C<4>}	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3){1|N<3>,1|N<4>,2|C<4>,2|O<2>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ga<5>,1|C<4>}	107.0150	0.000	1	107.0910	0.012	2	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)2(H){1|Ga<5>,1|C<4>}	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3){2|C<4>,2|N<4>,2|O<2>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ga<5>,1|C<4>}	107.1670	0.000	1	107.0910	0.012	2	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|H<1>}	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cd<5>,1|C<4>}	106.7880	0.000	1	106.7880	0.000	1	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<4>,1|C<4>}	106.8245	0.100	2	106.8245	0.010	2	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<4>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	106.7910	0.000	1	106.7910	0.000	1	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<4>,1|C<4>}	106.2000	0.000	1	106.2000	0.000	1	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<4>}	105.6660	0.000	1	105.6660	0.000	1	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<4>}	106.2730	0.164	2	106.2730	0.027	2	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Pd<4>,1|C<4>}	106.7285	0.073	2	106.7285	0.005	2	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHS)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Pd<4>,1|C<4>}	106.0272	0.430	4	106.0272	0.185	4	106.7638	0.582	20	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	Ge[5]-3:C[5]-3:C-4:	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CH3)	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H){1|Ge<3>,1|C<3>}	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CH3){1|Ge<3>,1|C<4>,2|C<3>}	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|N<3>}	117.5190	0.000	1	117.5190	0.000	1	117.5190	0.000	1	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<4>,1|N<3>,1|S<2>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.7210	0.000	1	107.7210	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<3>}	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ru<6>,1|C<4>,1|N<3>,1|S<2>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	109.0780	0.000	1	109.0780	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CCCH)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CCCH){1|Co<5>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	108.9650	0.000	1	108.9650	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Al<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Al<5>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.8330	0.000	1	107.8330	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cd<5>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.3447	0.618	3	107.3894	0.314	7	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cd<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cd<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.4230	0.608	4	107.3894	0.314	7	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<5>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.4920	0.157	5	107.5514	0.132	10	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<5>,1|C<4>,1|N<2>,1|N<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.6030	0.710	3	107.5514	0.132	10	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<6>,1|C<4>,1|N<2>,1|N<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.6225	0.220	2	107.5514	0.132	10	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cr<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.5315	0.265	2	107.5315	0.070	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<4>,1|C<3>,1|C<4>,1|N<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	106.8305	0.540	2	107.2356	0.191	12	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<4>,1|N<2>,1|N<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.8530	0.180	2	107.2356	0.191	12	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.3300	0.316	4	107.2356	0.191	12	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cu<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<6>,1|C<4>,1|N<2>,1|N<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.0350	0.252	4	107.2356	0.191	12	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.6350	0.023	2	107.9324	0.138	5	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Fe<6>,1|C<4>,1|N<2>,1|N<3>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	108.1307	0.358	3	107.9324	0.138	5	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.3000	0.600	2	107.3000	0.360	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.5177	0.818	12	107.6024	0.582	16	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<4>,1|N<2>,1|N<3>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.8568	0.587	4	107.6024	0.582	16	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,1|N<2>,1|N<3>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	108.0550	0.519	2	108.0550	0.269	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ru<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.7400	0.000	1	107.6987	0.230	9	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.7361	0.538	7	107.6987	0.230	9	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ru<7>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<7>,1|C<3>,1|C<4>,1|N<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.3950	0.000	1	107.6987	0.230	9	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Sm<14>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Sm<14>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.2570	0.000	1	107.2570	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.9963	0.648	3	107.7516	0.594	5	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.3845	1.043	2	107.7516	0.594	5	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|C<4>,2|C<3>}	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.2868	0.330	12	107.2868	0.109	12	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.0760	0.025	2	107.0760	0.001	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|C<4>,2|C<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	107.2065	0.804	2	107.2065	0.646	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Al)(C[5]C[5]H)(CCCH)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Al<4>,1|Li<4>}	C[5](N[5]N[5]Al)(C[5]C[5]H)(CCCH){1|Li<4>,1|C<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CCCH){1|Al<4>,1|C<4>}	105.2717	0.237	3	105.2717	0.056	3	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN)	C[5](C[5]N[5]C)2(H){2|Co<5>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN){1|Co<5>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN){1|Co<5>,1|C<4>}	104.3265	1.333	2	104.3265	1.777	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){2|Cr<5>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|Cr<5>,1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|Cr<5>,1|C<4>}	106.6180	0.000	1	106.6180	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Cr<8>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>}	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>}	106.2950	0.000	1	106.2950	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)2(H){2|Cu<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|Cu<3>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|Cu<3>,1|C<4>}	103.9785	0.237	2	103.4613	0.211	6	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)2(H){2|Cu<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|Cu<4>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|Cu<4>,1|C<4>}	103.2028	0.257	4	103.4613	0.211	6	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHN)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHN)	C[5](C[5]N[5]C)2(H){2|Fe<6>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHN){1|Fe<6>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHN){1|Fe<6>,1|C<4>}	105.2290	0.000	1	105.2290	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ga<3>,1|Ga<4>}	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<3>,1|C<4>}	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<4>,1|C<4>}	107.0400	0.000	1	107.0400	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)2(H){2|Li<3>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3){1|Li<3>,1|C<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3){1|Li<3>,1|C<4>}	103.2670	0.000	1	103.2670	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)2(H){1|Li<3>,1|Rh<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3){1|Rh<4>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3){1|Li<3>,1|C<4>}	103.5295	0.112	2	103.5295	0.013	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)2(H){1|Li<3>,1|Ru<8>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3){1|Ru<8>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CF3){1|Li<3>,1|C<4>}	103.3110	0.000	1	103.3110	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CHHN)	C[5](C[5]N[5]C)2(H){1|Mn<5>,1|Mn<8>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH){1|Mn<5>,1|C<4>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CHHN){1|Mn<8>,1|C<4>}	104.3730	0.000	1	104.2200	0.047	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CHHN)	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|Mn<8>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH){1|Mn<6>,1|C<4>}	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CHHN){1|Mn<8>,1|C<4>}	104.0670	0.000	1	104.2200	0.047	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CC3)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Mo<5>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CC3){1|C<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CC3){1|C<4>}	107.3465	0.373	2	107.3465	0.139	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){2|Ni<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|Ni<4>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|Ni<4>,1|C<4>}	106.0450	0.262	3	106.0450	0.069	3	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHHN)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHHN)	C[5](C[5]N[5]C)2(H){2|Ni<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHHN){1|Ni<4>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHHN){1|Ni<4>,1|C<4>}	104.4730	0.000	1	104.4730	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){2|Ni<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<4>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|Ni<4>,1|C<4>}	105.6983	0.339	4	105.6983	0.115	4	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|Ni<6>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<5>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<6>,1|C<4>}	104.4190	0.105	2	105.1407	1.387	4	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]C)2(H){2|Ni<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<4>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<4>,1|C<4>}	105.8625	1.438	2	105.1407	1.387	4	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(CF3)	C[5](N[5]N[5]Os)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)2(H){2|Os<5>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(CF3){1|Os<5>,1|C<4>}	C[5](N[5]N[5]Os)(C[5]C[5]H)(CF3){1|Os<5>,1|C<4>}	104.5390	0.165	2	104.5390	0.027	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Co<5>,1|P<4>}	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3){1|Co<5>,1|C<4>,1|N<2>,2|N<3>}	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|P<4>}	107.3715	0.582	2	107.3715	0.339	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|P<4>}	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,1|N<3>,2|N<2>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|P<4>}	108.0220	0.000	1	108.0220	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){2|Pd<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>}	106.2640	0.501	2	106.2640	0.251	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]C)2(H){2|Pd<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|Pd<4>,1|C<4>}	104.8173	0.483	4	104.8173	0.233	4	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){2|Pt<4>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|Pt<4>,1|C<4>}	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|Pt<4>,1|C<4>}	105.8390	0.000	1	105.8390	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CC3)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Re<6>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(CC3){1|C<4>}	C[5](N[5]N[5]Re)(C[5]C[5]H)(CC3){1|C<4>}	107.7135	0.224	2	107.7135	0.050	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)2(H){2|Rh<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3){1|Rh<4>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3){1|Rh<4>,1|C<4>}	104.6420	1.785	5	104.6696	2.218	7	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3)	C[5](C[5]N[5]C)2(H){2|Rh<6>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3){1|Rh<6>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3){1|Rh<6>,1|C<4>}	104.7385	0.742	2	104.6696	2.218	7	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){2|Rh<6>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|Rh<6>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|Rh<6>,1|C<4>}	105.7890	0.000	1	105.7890	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|Rh<5>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<4>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<5>,1|C<4>}	105.0490	0.981	10	104.8758	0.869	13	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C[5](C[5]N[5]C)2(H){2|Rh<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<4>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<4>,1|C<4>}	104.0575	0.332	2	104.8758	0.869	13	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C[5](C[5]N[5]C)2(H){2|Rh<5>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<5>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<5>,1|C<4>}	104.7810	0.000	1	104.8758	0.869	13	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]C)2(H){2|Rh<8>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|Rh<8>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|Rh<8>,1|C<4>}	104.7315	0.088	2	104.7315	0.008	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]C)2(H){2|Ru<6>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|Ru<6>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|Ru<6>,1|C<4>}	104.3190	0.000	1	104.3190	0.000	1	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CC3)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){1|Ti<8>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CC3){1|C<4>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CC3){1|C<4>}	107.1453	0.383	3	107.1453	0.147	3	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CCCH)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Ti<9>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CCCH){1|C<4>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CCCH){1|C<4>}	107.0252	0.212	4	107.0252	0.045	4	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Ti<9>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3){1|C<4>}	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3){1|C<4>}	106.7725	0.575	2	106.7725	0.330	2	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]C)2(H){1|Zn<3>,1|Zn<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){1|Zn<3>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){1|Zn<4>,1|C<4>}	105.5905	0.297	4	105.5905	0.088	4	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){2|Zn<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|Zn<4>,1|C<4>}	106.2002	0.335	9	106.2002	0.112	9	106.4570	2.170	186	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:I-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(I)	C[5](C[5]C[5]I)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]I)(CH3)	C[5](C[5]N[5]C)2(I){1|Fe<5>,1|C<4>}	C[5](C[5]C[5]I)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]I)(CH3){2|C<4>}	107.4180	0.000	1	107.4180	0.000	1	107.4180	0.000	1	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:I-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(I)	C[5](N[5]C[6a]N[5])(C[5]C[5]I)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]I)(CH3)	C[5](C[5]N[5]C)2(I){1|Pd<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]I)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C[5](N[5]N[5]Pd)(C[5]C[5]I)(CH3){1|C<3>,1|C<4>}	106.8510	0.000	1	106.8510	0.000	1	106.8510	0.000	1	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]Si)2(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]Si)2(O){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3){1|Si<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3){1|Si<4>,3|C<3>}	109.1900	0.000	1	109.1900	0.000	1	109.1900	0.000	1	106.8526	0.885	2572	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<3>,1|C<4>}	107.6560	0.000	1	107.6560	0.000	1	109.6725	8.133	2	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|O<1>}	111.6890	0.000	1	111.6890	0.000	1	109.6725	8.133	2	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(H)	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O)	C[5](P[5]C[5]C[6]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O){1|H<1>,2|C<4>}	C[5](P[5]C[5]C[6]2)(C[5]C[5]H)(H){3|H<1>,5|C<4>}	114.8540	0.000	1	114.8540	0.000	1	114.8540	0.000	1	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	S[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(CC3)	C[5](S[5]C[5]OO)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]S[5]H)(H){1|H<1>,2|O<1>}	C[5](C[5]C[5]H)(C[5]S[5]H)(CC3){1|H<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	114.8730	0.000	1	114.8730	0.000	1	115.2195	0.240	2	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	S[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]S[5]H)(H)	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3)	C[5](S[5]C[5]OO)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]S[5]H)(H){1|C<3>,2|O<1>}	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]H)(H){1|C<3>,1|C<4>}	115.5660	0.000	1	115.5660	0.000	1	115.2195	0.240	2	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]W)(CH3)	C[5](C[5]N[5]CW)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|W<6>}	C[5](C[5]C[5]H)(N[5]C[5]W)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]CW)(C[5]C[5]H)(H){1|C<4>}	108.1265	0.371	2	108.1265	0.138	2	108.2947	0.154	3	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]Y)(CC3)	C[5](C[5]N[5]CY)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Y<11>,1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]Y)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]CY)(C[5]C[5]H)(H){1|C<4>}	108.6310	0.000	1	108.6310	0.000	1	108.2947	0.154	3	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3)	C[5](N[5]N[5]BU)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|U<18>,1|B<5>}	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3){1|B<5>,1|H<1>}	C[5](N[5]N[5]BU)(C[5]C[5]H)(H){1|C<4>}	105.4530	0.041	2	105.4530	0.002	2	105.5208	0.033	4	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	C[5](N[5]N[5]BY)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Y<18>,1|B<5>}	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){1|B<5>,1|H<1>}	C[5](N[5]N[5]BY)(C[5]C[5]H)(H){1|C<4>}	105.5885	0.281	2	105.5885	0.079	2	105.5208	0.033	4	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Al<5>,1|C<4>,1|H<1>}	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC){1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|Al<5>,1|C<4>}	107.1595	0.342	2	107.1595	0.117	2	107.8200	0.640	4	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Dy)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]DyC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Dy<11>,1|C<4>}	C[5](N[5]C[5]Dy)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]DyC)(C[5]C[5]H)(H){1|C<4>}	108.3080	0.000	1	108.3080	0.000	1	107.8200	0.640	4	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Er)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]ErC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Er<11>,1|C<4>}	C[5](N[5]C[5]Er)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]ErC)(C[5]C[5]H)(H){1|C<4>}	108.6530	0.000	1	108.6530	0.000	1	107.8200	0.640	4	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Dy)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]DyB)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Dy<18>,1|B<5>}	C[5](N[5]N[5]Dy)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	C[5](N[5]N[5]DyB)(C[5]C[5]H)(H){1|C<4>}	105.5460	0.116	2	105.5460	0.013	2	105.5405	0.009	8	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]ErB)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Er<18>,1|B<5>}	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	C[5](N[5]N[5]ErB)(C[5]C[5]H)(H){1|C<4>}	105.6155	0.059	2	105.6155	0.003	2	105.5405	0.009	8	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ho)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]HoB)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ho<18>,1|B<5>}	C[5](N[5]N[5]Ho)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	C[5](N[5]N[5]HoB)(C[5]C[5]H)(H){1|C<4>}	105.5460	0.078	2	105.5460	0.006	2	105.5405	0.009	8	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Tb)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]TbB)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Tb<18>,1|B<5>}	C[5](N[5]N[5]Tb)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	C[5](N[5]N[5]TbB)(C[5]C[5]H)(H){1|C<4>}	105.4545	0.114	2	105.4545	0.013	2	105.5405	0.009	8	107.8004	10.434	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OZr)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OZr){2|C<4>}	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	Si[5]-4:C[5]-3:B-3:	C[5](C[5]C[5]Si)(C[5]Si[5]B)(H)	C[5](C[5]Si[5]Si)(C[5]C[5]H)(SiC3)	C[5](Si[5]C[5]CC)(C[5]C[5]H)(BC[6a]2)	C[5](C[5]C[5]Si)(C[5]Si[5]B)(H){1|Si<4>,2|C<4>}	C[5](C[5]Si[5]Si)(C[5]C[5]H)(SiC3){1|B<3>,2|C<4>}	C[5](Si[5]C[5]CC)(C[5]C[5]H)(BC[6a]2){2|Si<4>}	120.0910	0.000	1	120.0910	0.000	1	120.0910	0.000	1	112.4910	43.326	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CC[6a]C)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(CC[6a]C){2|C<4>}	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	112.4910	43.326	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CSiH)	C[5](C[5]C[5]C)2(O){1|N<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CSiH){1|C<4>,1|N<3>}	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	112.4910	43.326	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(H){1|Ga<2>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<2>,1|C<4>,1|H<1>}	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3){2|C<4>}	110.8850	0.000	1	110.8850	0.000	1	111.2683	0.147	3	109.1358	15.716	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){2|C<4>}	111.4600	0.270	2	111.4600	0.073	2	111.2683	0.147	3	109.1358	15.716	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	C[5](N[5]N[5]BY)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Y<18>,1|B<5>}	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){1|B<5>,1|C<4>}	C[5](N[5]N[5]BY)(C[5]C[5]H)(CH3){1|C<4>}	106.6070	0.190	6	106.6070	0.036	6	106.6070	0.036	6	109.1358	15.716	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	B[4,5]-4:C[5]-3:C-4:	C[5](C[5]B[4,5]C)(C[5]N[5]C)(H)	C[5](N[5]B[4,5]C[6a])(C[5]C[5]H)(CC3)	C[5](B[4,5]N[4]N[5]O[4])(C[5]C[5]H)(CC3)	C[5](C[5]B[4,5]C)(C[5]N[5]C)(H){1|C<3>,1|N<3>,1|O<2>}	C[5](N[5]B[4,5]C[6a])(C[5]C[5]H)(CC3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5](B[4,5]N[4]N[5]O[4])(C[5]C[5]H)(CC3){1|C<4>,3|C<3>}	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	109.1358	15.716	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]TiH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Ti<9>,1|H<1>}	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]TiH)(C[5]C[5]H)(CH3){1|C<4>}	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	109.1358	15.716	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	Ge[5]-4:C[5]-3:C-4:	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CC3)	C[5](Ge[5]N[5]MgN)(C[5]C[5]H)(CC3)	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H){1|Mg<4>,1|C<3>,1|N<3>}	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CC3){1|Mg<4>,1|C<4>,1|N<3>,2|C<3>}	C[5](Ge[5]N[5]MgN)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>}	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	109.1358	15.716	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3)	C[5](N[5]N[5]Li2)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){2|Li<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3){1|Li<4>,1|C<4>}	C[5](N[5]N[5]Li2)(C[5]C[5]H)(CC3){1|C<4>}	105.3340	0.000	1	105.3340	0.000	1	105.3340	0.000	1	109.1358	15.716	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	4:3:5:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-5:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CRu2CC)	C[5](C[5]C[5]C)2(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|C<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CRu2CC){2|C<4>}	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	5:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	Nb[5]-5:C[5]-3:C-4:	C[5](C[5]Nb[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[6a]Nb[5])(C[5]C[5]H)(CH3)	C[5](Nb[5]N[5]N[6]NN)(C[5]C[5]H)(CH3)	C[5](C[5]Nb[5]C)(C[5]N[5]C)(H){1|C<3>,1|N<3>,2|N<2>}	C[5](N[5]C[6a]Nb[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5](Nb[5]N[5]N[6]NN)(C[5]C[5]H)(CH3){1|C<4>,3|C<3>}	118.7550	0.000	1	118.7550	0.000	1	118.7550	0.000	1	118.7550	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:3:4:	6:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	Nb[3,5,5]-6:C[5]-3:C-4:	C[5](C[5]Nb[3,5,5]C)(C[5]N[5]C)(H)	C[5](N[5]Nb[3,5,5]C[6a])(C[5]C[5]H)(CH3)	C[5](Nb[3,5,5]C[3,5]N[3]N[5]O[5]N)(C[5]C[5]H)(CH3)	C[5](C[5]Nb[3,5,5]C)(C[5]N[5]C)(H){1|C<3>,1|C<5>,1|N<2>,1|N<3>,1|O<2>}	C[5](N[5]Nb[3,5,5]C[6a])(C[5]C[5]H)(CH3){1|C<4>,1|C<5>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5](Nb[3,5,5]C[3,5]N[3]N[5]O[5]N)(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	119.4040	0.065	2	119.4040	0.004	2	119.4040	0.004	2	119.4040	0.004	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(CC[5a]2C)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](C[5]C[5]H)(CC[5a]2C)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	108.4170	0.387	2	108.4170	0.150	2	107.7669	0.566	12	107.7669	0.566	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	106.7750	0.359	3	107.6369	0.562	10	107.7669	0.566	12	107.7669	0.566	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	108.0063	0.519	7	107.6369	0.562	10	107.7669	0.566	12	107.7669	0.566	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){3|C<3>}	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	111.8420	3.427	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	P[5]-3:S-4:C[5]-3:	C[5]-3:C[5]-2:H-1:	C[5](C[5]C[5]H)(C[5]P[5]S)(H)	C[5](P[5]C[5]Rh)(SC[6a]2Rh)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]P[5])(H)	C[5](C[5]C[5]H)(C[5]P[5]S)(H){1|Rh<4>}	C[5](P[5]C[5]Rh)(SC[6a]2Rh)(C[5]C[5]H){1|H<1>}	C[5](C[5]C[5]H)(C[5]P[5])(H){1|Rh<4>,1|S<4>}	113.1510	0.000	1	113.1510	0.000	1	113.1510	0.000	1	111.8420	3.427	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:2:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(H){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[6a]H){1|C<3>,2|C<4>}	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<2>}	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	110.4115	1.010	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<2>}	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	110.4115	1.010	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2H)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2H)(C[5]C[5]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.8780	0.000	1	110.8780	0.000	1	110.8780	0.000	1	110.4115	1.010	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|C<4>}	109.6900	0.150	4	109.6900	0.022	4	109.6900	0.022	4	110.4115	1.010	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[5]C[5]H)2(H){1|C<4>,2|C<3>}	110.2980	0.000	1	110.2980	0.000	1	110.0704	0.090	9	110.4115	1.010	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<4>,3|C<3>}	110.2265	0.066	2	110.2265	0.004	2	110.0704	0.090	9	110.4115	1.010	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|H<1>,2|F<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	110.0613	0.401	4	109.9805	0.113	6	110.0704	0.090	9	110.4115	1.010	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	109.8190	0.049	2	109.9805	0.113	6	110.0704	0.090	9	110.4115	1.010	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	110.5245	0.351	2	110.5245	0.124	2	110.5245	0.124	2	110.4115	1.010	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	S[5]-3:P-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]P)(H)	C[5](S[5]C[5]Re)(PC[6a]2Re)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]P)(H){1|Re<5>,1|H<1>}	C[5](S[5]C[5]Re)(PC[6a]2Re)(C[5]C[5]H){2|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Re<5>,1|P<4>}	113.9280	0.000	1	113.9280	0.000	1	113.9280	0.000	1	110.4115	1.010	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(OC)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(OC){1|C<4>,1|H<1>,3|C<3>}	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,4|H<1>}	110.1400	0.000	1	110.1400	0.000	1	110.1400	0.000	1	110.1400	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>}	111.4825	0.583	2	111.4825	0.340	2	111.0710	0.678	3	111.0710	0.678	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,2|H<1>}	110.2480	0.000	1	110.2480	0.000	1	111.0710	0.678	3	111.0710	0.678	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<3>,2|H<1>}	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<2>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH){1|C<2>,2|C<3>}	113.4337	0.167	3	113.9635	0.587	12	113.9635	0.587	12	113.9635	0.587	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	3:4:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,2|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH){1|C<3>,2|C<2>}	114.1401	0.812	9	113.9635	0.587	12	113.9635	0.587	12	113.9635	0.587	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[3,5]H)(C[5]O[5]O)(H)	C[5](C[3,5]C[3]O[3]O[5])(C[5]C[5]H)(H)	C[5](O[5]C[3,5])(C[5]C[5]H)(O)	C[5](C[5]C[3,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	C[5](C[3,5]C[3]O[3]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](O[5]C[3,5])(C[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	108.6227	1.370	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[4,5]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[4,5]H)(C[5]O[5]O)(H)	C[5](C[4,5]C[4,5]O[4]O[5])(C[5]C[5]H)(H)	C[5](O[5]C[4,5])(C[5]C[5]H)(O)	C[5](C[5]C[4,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	C[5](C[4,5]C[4,5]O[4]O[5])(C[5]C[5]H)(H){1|Ge<4>,1|O<1>,2|C<3>}	C[5](O[5]C[4,5])(C[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	108.9020	0.000	1	108.9020	0.000	1	108.5427	0.104	3	108.6227	1.370	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[4,5]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[4,5]H)(C[5]O[5]O)(H)	C[5](C[4,5]C[4]O[4]O[5])(C[5]C[5]H)(H)	C[5](O[5]C[4,5])(C[5]C[5]H)(O)	C[5](C[5]C[4,5]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	C[5](C[4,5]C[4]O[4]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](O[5]C[4,5])(C[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	108.3630	0.120	2	108.3630	0.014	2	108.5427	0.104	3	108.6227	1.370	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5,6]H)(C[5]O[5]O)(H)	C[5](C[5,5,6]C[5,6,6]2O[5])(C[5]C[5]H)(H)	C[5](O[5]C[5,5,6])(C[5]C[5]H)(O)	C[5](C[5]C[5,5,6]H)(C[5]O[5]O)(H){2|C<4>}	C[5](C[5,5,6]C[5,6,6]2O[5])(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[5](O[5]C[5,5,6])(C[5]C[5]H)(O){1|H<1>,2|C<4>}	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	108.6227	1.370	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]H)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]H)(C[5]O[5]O)(H){2|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]H)(O){1|H<1>,2|C<4>}	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	108.6227	1.370	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	O[5]-2:C[5]-3:H-1:	C[5](C[5]C[5,5]O)(C[5]O[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O)	C[5](O[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]O)(C[5]O[5]H)(H){1|C<3>,1|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>}	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	108.6227	1.370	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]O[5]O)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]H)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	107.8810	0.033	2	107.8810	0.001	2	107.8810	0.001	2	108.6227	1.370	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	2:3:2:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	O[5]-2:C[5]-3:O-2:	C[5](C[5]C[5,5]O)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O)	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)	C[5](C[5]C[5,5]O)(C[5]O[5]O)(H){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](O[5]C[5,5])(C[5]C[5]H)(OC){1|O<1>,2|C<3>}	107.3670	0.107	2	107.3670	0.012	2	107.3670	0.012	2	107.3670	0.012	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	2:3:4:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	O[5]-2:C[5]-3:C-4:	C[5](C[5]C[5,5]O)(C[5]O[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O)	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5,5]O)(C[5]O[5]C)(H){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>}	108.7870	0.000	1	108.7870	0.000	1	108.7870	0.000	1	108.7870	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	2:4:3:	C[5]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	O[5]-2:C[4]-4:C[5]-3:	C[5](C[5]C[5,6,6]O)(C[5]C[4]O[5])(H)	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5]H)(O)	C[5](O[5]C[5,6,6])(C[4]C[4]2H)(C[5]C[5]H)	C[5](C[5]C[5,6,6]O)(C[5]C[4]O[5])(H){1|H<1>,4|C<4>}	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6,6])(C[4]C[4]2H)(C[5]C[5]H){1|O<1>,2|H<1>,5|C<4>}	107.7205	0.053	2	107.7205	0.003	2	107.7205	0.003	2	107.7205	0.003	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:Br-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]Br)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(Br)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]Br)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(Br){1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|Br<1>,1|C<4>,1|H<1>}	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,2|C<4>}	108.9570	0.000	1	108.0490	1.387	5	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,2|C<4>}	107.5213	1.310	3	108.0490	1.387	5	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|O<1>,3|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,2|C<4>}	108.7240	0.000	1	108.0490	1.387	5	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	108.1050	0.000	1	108.1050	0.000	1	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]O[5]O)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>}	109.2160	0.000	1	109.2160	0.000	1	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,2|C<4>}	108.5170	0.262	4	108.5055	0.080	6	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){2|C<4>}	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,2|C<4>}	108.4825	0.441	2	108.5055	0.080	6	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	109.1610	1.459	2	108.7707	0.504	9	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	109.0230	0.000	1	108.7707	0.504	9	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	108.6735	0.381	2	108.7707	0.504	9	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	107.8730	0.000	1	108.7707	0.504	9	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	108.4740	0.000	1	108.7707	0.504	9	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	108.4960	0.000	1	108.7707	0.504	9	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(H){1|O<1>,3|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	109.4010	0.000	1	108.7707	0.504	9	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<3>,1|C<4>}	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	108.9520	0.000	1	108.9520	0.000	1	108.5429	0.568	23	108.5028	0.581	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:2:4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:Se[5]-2:C-4:	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO)	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]H)(H){1|C<4>,2|C<3>}	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO){1|N<3>,2|H<1>}	121.9600	0.000	1	121.9600	0.000	1	121.9600	0.000	1	121.9600	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-4:C[5]-3:Br-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)2(Br)	C[5](C[5]C[5]Br2)(C[5]C[5]Br)(Br)	C[5](C[5]C[5]Br)2(Br)	C[5](C[5]C[5]Br)2(Br){3|Br<1>}	C[5](C[5]C[5]Br2)(C[5]C[5]Br)(Br){2|Br<1>}	C[5](C[5]C[5]Br)2(Br){3|Br<1>}	109.7670	2.434	2	109.7670	5.924	2	109.7670	5.924	2	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-4:C[5]-3:Cl-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(Cl)	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl)	C[5](C[5]C[5]Cl)2(Cl)	C[5](C[5]C[5]Cl)2(Cl){3|Cl<1>}	C[5](C[5]C[5]Cl2)(C[5]C[5]Cl)(Cl){2|Cl<1>}	C[5](C[5]C[5]Cl)2(Cl){3|Cl<1>}	109.2485	0.130	4	109.2485	0.017	4	109.2485	0.017	4	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.1310	0.000	1	109.4790	0.242	2	109.3813	0.150	3	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|O<2>,2|H<1>,3|C<4>}	109.8270	0.000	1	109.4790	0.242	2	109.3813	0.150	3	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H){1|O<2>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]O)(C[5]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|O<2>,2|H<1>,3|C<4>}	109.1860	0.000	1	109.1860	0.000	1	109.3813	0.150	3	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]O)(C[5]N[5,5]H)(H)	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]H)(O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]O)(C[5]N[5,5]H)(H){1|O<2>,2|C<4>}	C[5](C[5,5]C[5,6]N[5,5]O)(C[5]C[5]H)(O){1|C<3>,1|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|O<1>,1|O<2>,4|C<4>}	108.4390	0.387	2	108.4390	0.150	2	108.4390	0.150	2	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:H-1:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6,6]H)(C[5]N[5,6]O)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6,6]H)(C[5]N[5,6]O)(H){1|C<3>,2|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O){1|C<4>,2|H<1>,3|C<3>}	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6,6]O)(C[5]C[5]H)(H)	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5,6,6]O)(C[5]C[5]H)(H)	C[5](C[5]C[5,6,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>}	111.1860	0.156	2	111.1860	0.024	2	111.1860	0.024	2	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]H)2(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)2(H){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]H)(H){2|H<1>,4|C<4>}	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|N<3>,4|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	110.5470	0.000	1	108.8916	0.612	8	108.8955	0.476	10	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|C<4>,2|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|H<1>,2|C<3>}	108.8170	0.504	3	108.8916	0.612	8	108.8955	0.476	10	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){3|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	108.5337	0.411	4	108.8916	0.612	8	108.8955	0.476	10	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	108.9390	0.000	1	108.9110	0.002	2	108.8955	0.476	10	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	108.8830	0.000	1	108.9110	0.002	2	108.8955	0.476	10	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]2Pd)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Pd<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2Pd)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]H)2(H){1|Pd<4>,1|C<4>,1|H<1>}	108.8642	0.063	4	108.8642	0.004	4	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]2Pt)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Pt<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2Pt)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]H)2(H){1|Pt<4>,1|C<4>,1|H<1>}	108.9021	0.360	8	108.9021	0.130	8	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]AlH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Al<4>,2|H<1>}	C[5](C[5]C[5]AlH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Al<4>,2|H<1>}	108.9532	0.447	4	108.9532	0.200	4	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]AlH)(C[5]C[5]H)(H)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|Al<4>,1|Si<4>,1|H<1>}	C[5](C[5]C[5]AlH)(C[5]C[5]H)(H){1|Si<4>,1|H<1>}	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){1|Al<4>,2|H<1>}	109.1190	0.000	1	109.1190	0.000	1	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[6,6]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[6,6]C[5])(C[5]C[5]H)(H){3|C<4>,3|H<1>}	109.1580	0.000	1	109.1580	0.000	1	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]CrH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Cr<4>,2|H<1>}	C[5](C[5]C[5]CrH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Cr<4>,2|H<1>}	108.7540	0.263	2	108.6068	0.052	4	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]CrH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Cr<8>,2|H<1>}	C[5](C[5]C[5]CrH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Cr<8>,2|H<1>}	108.4595	0.036	2	108.6068	0.052	4	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]FeH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|Fe<8>,1|C<4>,1|H<1>}	C[5](C[5]C[5]FeH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Fe<8>,2|H<1>}	108.6870	0.000	1	108.6870	0.000	1	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]FeH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Fe<8>,2|H<1>}	C[5](C[5]C[5]FeH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Fe<8>,2|H<1>}	108.8610	0.209	2	108.8610	0.044	2	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]FeH)(C[5]C[5]H)(H)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|Fe<8>,1|Si<4>,1|H<1>}	C[5](C[5]C[5]FeH)(C[5]C[5]H)(H){1|Si<4>,1|H<1>}	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){1|Fe<8>,2|H<1>}	108.8160	0.000	1	108.8160	0.000	1	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	104.7503	2.714	3	104.7503	7.365	3	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]MoH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Mo<8>,2|H<1>}	C[5](C[5]C[5]MoH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Mo<8>,2|H<1>}	108.7250	0.018	2	108.7250	0.000	2	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]NiH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Ni<4>,2|H<1>}	C[5](C[5]C[5]NiH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Ni<4>,2|H<1>}	108.3815	0.155	2	108.6915	0.122	6	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]NiH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Ni<7>,2|H<1>}	C[5](C[5]C[5]NiH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Ni<7>,2|H<1>}	108.8465	0.316	4	108.6915	0.122	6	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]P[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|P<3>,2|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](C[5]C[5]H)2(H){1|P<3>,2|H<1>}	109.0470	0.000	1	109.0470	0.000	1	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]PdH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Pd<5>,2|H<1>}	C[5](C[5]C[5]PdH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Pd<5>,2|H<1>}	108.5055	1.029	2	108.5055	1.059	2	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]RuH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|Ru<8>,1|C<4>,1|H<1>}	C[5](C[5]C[5]RuH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Ru<8>,2|H<1>}	108.5335	0.462	4	108.5335	0.213	4	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)	C[5](C[5]C[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|Fe<8>,1|Si<4>,1|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H){1|Fe<8>,1|H<1>}	C[5](C[5]C[5]Fe)(C[5]C[5]H)(H){1|Si<4>,2|H<1>}	109.4390	0.000	1	109.4390	0.000	1	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]SnH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Sn<3>,2|H<1>}	C[5](C[5]C[5]SnH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Sn<3>,2|H<1>}	109.0687	0.378	4	109.0687	0.143	4	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]TiH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Ti<14>,2|H<1>}	C[5](C[5]C[5]TiH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Ti<14>,2|H<1>}	108.5950	1.010	2	108.5950	1.020	2	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]ZnH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|Zn<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]ZnH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Zn<4>,2|H<1>}	110.0810	0.000	1	110.0810	0.000	1	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]Ga[5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Ga<4>,2|H<1>}	C[5](C[5]Ga[5]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]H)2(H){1|Ga<4>,2|H<1>}	108.9688	0.442	4	108.9688	0.195	4	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]H)2(H){1|Ge<3>,2|H<1>}	C[5](C[5]Ge[6]C[5]H)(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](C[5]C[5]H)2(H){1|Ge<3>,2|H<1>}	108.9810	0.255	4	108.9810	0.065	4	108.6540	1.233	60	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(O){3|H<1>}	109.9510	0.000	1	109.9510	0.000	1	109.7435	0.086	2	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(O){1|O<2>,2|H<1>}	109.5360	0.000	1	109.5360	0.000	1	109.7435	0.086	2	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]RhH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]P)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Rh<4>,1|H<1>,1|P<4>}	C[5](C[5]N[5]RhH)(C[5]C[5]H)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(N[5]C[5]P)(H){1|Rh<4>,2|H<1>}	107.1710	0.000	1	107.1710	0.000	1	107.1710	0.000	1	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6]N[5]H)(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	110.8920	0.180	2	110.8920	0.032	2	110.0380	0.453	26	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,2|C<4>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	109.4301	0.446	8	109.4301	0.199	8	110.0380	0.453	26	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,2|C<4>}	109.3485	0.040	2	109.3485	0.002	2	110.0380	0.453	26	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	110.3874	0.492	12	110.3874	0.242	12	110.0380	0.453	26	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]N)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|N<2>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|N<2>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]N)(O){3|H<1>}	110.6260	0.000	1	110.6260	0.000	1	110.0380	0.453	26	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]N[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]N[5]HO)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|O<2>,2|H<1>}	109.7920	0.000	1	109.7920	0.000	1	110.0380	0.453	26	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]TiH)(C[5]C[5]H)(H)	C[5](N[5]C[5]Ti)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ti<9>,1|H<1>}	C[5](C[5]N[5]TiH)(C[5]C[5]H)(H){1|H<1>}	C[5](N[5]C[5]Ti)(C[5]C[5]H)(H){2|H<1>}	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<4>}	102.5470	0.000	1	102.5470	0.000	1	102.5470	0.000	1	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6]O)(C[5]N[5,6]H)(H){1|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	110.5060	0.000	1	110.5060	0.000	1	110.5060	0.000	1	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:H-1:	S[5]-4:C[5]-3:Cl-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]S[5]Cl)(C[5]C[5]H)(H)	C[5](S[5]C[5]OO)(C[5]C[5]H)(Cl)	C[5](C[5]S[5]Cl)(C[5]C[5]H)(H)	C[5](C[5]S[5]Cl)(C[5]C[5]H)(H){1|Cl<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]H)(Cl){1|Cl<1>,1|H<1>}	C[5](C[5]S[5]Cl)(C[5]C[5]H)(H){1|Cl<1>,2|O<1>}	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	109.0882	1.864	118	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5,5]O)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(O)	C[5](C[5]C[5,5]O)(C[5]C[5]H)(OC)	C[5](C[5]C[5,5]O)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<4>,4|O<2>}	C[5](C[5]C[5,5]O)(C[5]C[5]H)(OC){1|O<1>,2|C<4>}	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:Br-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]Br)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(Br)	C[5](C[5]C[5]H)2(COO)	C[5](C[5]C[5]Br)(C[5]C[5]C)(H){1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(Br){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)2(COO){1|Br<1>,2|C<4>}	107.1200	0.000	1	107.1200	0.000	1	107.1200	0.000	1	107.1200	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CC[6a]CH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CC[6a]CH){3|H<1>}	106.9990	0.000	1	106.9990	0.000	1	106.9990	0.000	1	107.1855	0.070	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CHHP)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Ti<6>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|Ti<6>,1|C<4>}	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CHHP){3|H<1>}	107.3720	0.000	1	107.3720	0.000	1	107.3720	0.000	1	107.1855	0.070	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:Br-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(Br)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br)(O)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(Br){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br)(O){1|C<3>,2|C<4>,3|H<1>}	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:Br-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(Br)	C[5](C[5]C[5]2C)(C[5]C[5]Br)(O)	C[5](C[5]C[5]CO)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(Br){1|O<2>,3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]Br)(O){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]Br)(H){1|O<1>,2|C<4>}	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:Cl-1:	C[5,5,6]-4:C[5]-3:Cl-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl)	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(Cl)	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(O)	C[5](C[5]C[5,5,6]Cl)(C[5]C[5,5,6]O)(Cl){2|Cl<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]2Cl)(C[5]C[5]Cl)(O){2|Cl<1>,1|H<1>,3|C<4>}	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:F-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(F)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]F)(H)	C[5](C[5,6]C[5,6]C[6]F)(C[5]C[5]F)(O)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(F){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]F)(H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]F)(C[5]C[5]F)(O){1|C<4>,2|C<3>,2|H<1>}	112.7970	0.559	2	112.7970	0.312	2	112.7970	0.312	2	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[4,5]-4:C[5]-3:H-1:	C[4,5]-4:C[5]-3:O-1:	C[5](C[5]C[4,5]H)(C[5]C[4,5]O)(H)	C[5](C[4,5]C[4,5,5,6]C[4,5]H)(C[5]C[5]H)(H)	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[5]H)(O)	C[5](C[5]C[4,5]H)(C[5]C[4,5]O)(H){2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5,5,6]C[4,5]H)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[5]H)(O){2|C<4>,3|H<1>}	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]H)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5,6]H)2(H){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H){3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(H){3|C<4>,3|H<1>}	113.0390	0.000	1	113.0390	0.000	1	113.0390	0.000	1	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(O){3|C<4>,3|H<1>}	109.9660	0.000	1	109.9660	0.000	1	109.9357	0.201	3	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O){1|C<3>,1|C<4>,3|H<1>}	109.4730	0.000	1	109.9205	0.401	2	109.9357	0.201	3	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O){2|H<1>,4|C<4>}	110.3680	0.000	1	109.9205	0.401	2	109.9357	0.201	3	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O){2|C<4>,4|H<1>}	110.1040	0.000	1	110.1040	0.000	1	109.6597	0.151	3	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(O){2|H<1>,4|C<4>}	109.3880	0.000	1	109.3880	0.000	1	109.6597	0.151	3	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O){2|C<4>,4|H<1>}	109.4870	0.000	1	109.4870	0.000	1	109.6597	0.151	3	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]H)(C[5]C[5]H)(H){2|H<1>,2|O<2>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(H){1|H<1>,2|O<2>}	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	108.8390	0.000	1	108.8390	0.000	1	109.0120	0.060	2	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(H){1|C<3>,3|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|H<1>}	109.1850	0.000	1	109.1850	0.000	1	109.0120	0.060	2	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6]O)(C[5]C[5]H)(H){1|O<2>,3|C<4>}	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(O){3|H<1>,4|C<4>}	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]MnH)(C[5]C[5]H)(H)	C[5](C[5]C[5]MnH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|Mn<6>,2|H<1>}	C[5](C[5]C[5]MnH)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]MnH)(C[5]C[5]H)(H){2|H<1>}	108.3920	0.712	3	108.3920	0.507	3	108.3307	0.353	4	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]TiH)(C[5]C[5]H)(H)	C[5](C[5]C[5]TiH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(H){1|Ti<10>,1|H<1>,1|H<2>}	C[5](C[5]C[5]TiH)(C[5]C[5]H)(H){1|H<1>,1|H<2>}	C[5](C[5]C[5]TiH)(C[5]C[5]H)(H){2|H<1>}	108.1470	0.000	1	108.1470	0.000	1	108.3307	0.353	4	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(O){1|O<2>,2|H<1>}	109.3345	0.571	2	109.3345	0.326	2	109.8565	0.422	11	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|N<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|N<4>,2|H<1>}	110.2940	0.000	1	110.2940	0.000	1	109.8565	0.422	11	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<4>,2|C<3>,2|H<1>}	110.1540	0.000	1	110.1540	0.000	1	109.8565	0.422	11	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|N<3>,2|H<1>}	109.9980	0.000	1	109.9980	0.000	1	109.8565	0.422	11	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<3>,2|C<3>,2|H<1>}	109.7245	0.180	2	110.0793	0.819	4	109.8565	0.422	11	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<4>,2|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<4>,2|C<3>,2|H<1>}	110.4340	1.386	2	110.0793	0.819	4	109.8565	0.422	11	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|O<1>,4|C<3>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(O){2|H<1>,5|C<3>}	109.4945	0.370	2	109.4945	0.137	2	109.8565	0.422	11	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	N[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	C[5](N[5]C[5]CH)(C[5]C[5]H)(H){3|H<1>}	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]H)(O){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|O<1>,2|C<4>}	109.8710	0.110	2	109.8710	0.012	2	109.7725	0.255	12	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|O<1>,2|C<4>}	109.6726	0.613	5	109.6726	0.376	5	109.7725	0.255	12	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<3>,1|N<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>}	110.1353	0.478	3	109.8330	0.299	5	109.7725	0.255	12	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>}	109.3795	0.231	2	109.8330	0.299	5	109.7725	0.255	12	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|O<1>,2|H<1>}	111.0200	0.164	2	111.0200	0.027	2	111.0200	0.027	2	110.0597	1.367	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:2:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(OC)	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(OC){1|C<3>,1|C<4>,1|O<1>}	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:N-3:	C[5](C[5]C[5,5]N)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]H)(O)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(NCH)	C[5](C[5]C[5,5]N)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]H)(O){1|N<3>,2|C<3>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(NCH){1|C<4>,1|O<1>,2|C<3>}	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	111.0953	2.301	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:Br-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]Br)(C[5]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(Br)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[5,6]Br)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(Br){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(COO){1|Br<1>,2|C<4>}	106.8370	0.000	1	106.8370	0.000	1	106.8370	0.000	1	111.0953	2.301	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCC)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CCC){1|C<3>,1|N<3>,4|H<1>}	112.0070	0.000	1	112.0070	0.000	1	111.6234	0.105	14	111.0953	2.301	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2){1|N<3>,2|C<3>,3|H<1>}	111.5939	0.318	13	111.5939	0.101	13	111.6234	0.105	14	111.0953	2.301	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2{3|H<1>}	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	111.0953	2.301	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]H)(CCC)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Si<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]H)(CCC){3|H<1>}	111.8180	0.000	1	111.8180	0.000	1	112.0255	0.086	2	111.0953	2.301	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCC)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]HN)(C[5]C[5]H)(CCC){1|C<3>,2|H<1>}	112.2330	0.000	1	112.2330	0.000	1	112.0255	0.086	2	111.0953	2.301	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.5950	0.000	1	111.5950	0.000	1	111.4380	0.049	2	111.4380	0.049	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>}	111.2810	0.000	1	111.2810	0.000	1	111.4380	0.049	2	111.4380	0.049	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-2:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(C[5]O[5]O)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(OC)	C[5](O[5]C[5,5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]O)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]H)(O){1|C<4>,2|O<2>}	107.7010	0.243	4	107.7010	0.059	4	107.7010	0.059	4	107.7010	0.059	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	107.8870	1.121	2	107.8870	1.258	2	107.5825	1.184	13	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	105.9170	0.000	1	107.3765	4.260	2	107.5825	1.184	13	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	108.8360	0.000	1	107.3765	4.260	2	107.5825	1.184	13	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a]C)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](CC[5a]C[6a]C)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	107.1620	0.000	1	107.1620	0.000	1	107.5825	1.184	13	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	107.1407	0.718	6	107.6104	1.177	8	107.5825	1.184	13	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	109.0195	0.603	2	107.6104	1.177	8	107.5825	1.184	13	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|C<4>}	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,1|H<1>}	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|C<4>}	116.0800	1.222	2	116.0800	1.493	2	116.0800	1.493	2	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-2:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	106.9000	0.000	1	106.9905	0.016	2	106.9905	0.016	2	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-2:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	107.0810	0.000	1	106.9905	0.016	2	106.9905	0.016	2	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-2:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]H)(OC)	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]H)(OC){1|O<1>,2|C<4>,3|H<1>}	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O){1|C<4>,2|O<2>}	107.2310	0.000	1	107.2310	0.000	1	107.2310	0.000	1	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]CO)(C[5]C[5]H)(OC)	C[5](C[5]C[5]H)(N[5]C[5]O)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|O<2>}	C[5](C[5]N[5]CO)(C[5]C[5]H)(OC){1|O<1>,1|O<2>}	C[5](C[5]C[5]H)(N[5]C[5]O)(O){1|C<4>,2|O<2>}	107.3120	0.000	1	107.3120	0.000	1	107.4883	0.043	3	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]HO)(C[5]C[5]H)(OC)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]N[5]HO)(C[5]C[5]H)(OC){1|C<4>,1|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,2|O<2>}	107.5765	0.196	2	107.5765	0.038	2	107.4883	0.043	3	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[6]C[5a]C[6]2)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){2|C<3>,2|C<4>}	C[5](C[6]C[5a]C[6]2)(C[5]C[5]H)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	106.5020	0.000	1	106.5020	0.000	1	105.1430	1.399	3	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[6]C[6]2C)(C[5]C[5]H)(N[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|C<2>,1|C<4>,2|C<3>}	C[5](C[6]C[6]2C)(C[5]C[5]H)(N[5]C[5]){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	104.4635	0.163	2	104.4635	0.027	2	105.1430	1.399	3	107.9099	7.789	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|Fe<10>,1|N<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,2|C<3>,2|H<1>}	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]C)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]C[5]H)(H){1|C<2>,2|C<3>}	112.2080	0.000	1	112.2080	0.000	1	112.2080	0.000	1	109.9377	3.876	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(OC)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]O)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(OC){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<2>}	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	109.9377	3.876	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|O<2>,2|H<1>}	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	109.9377	3.876	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5](O[5]C[5,5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<3>,2|C<3>,2|O<1>}	C[5](O[5]C[5,5])(C[5]C[5]H)(O){3|C<3>}	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.6430	1.591	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-2:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a])(C[5]N[5]H)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[5,5])(C[5]C[5]H)(H)	C[5](C[5]C[5,5]C[6a])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](N[5]C[5,5])(C[5]C[5]H)(H){1|C<3>,2|C<4>}	108.5865	0.275	2	108.5865	0.076	2	108.5865	0.076	2	109.6430	1.591	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](O[5]C[5,5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(H){4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](O[5]C[5,5])(C[5]C[5]H)(O){3|C<3>}	110.9845	0.363	2	110.9845	0.132	2	110.9845	0.132	2	109.6430	1.591	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	2:3:2:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	O[5]-2:C[5]-3:N-2:	C[5](C[5]C[5,5]C)(C[5]O[5]N)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO)	C[5](O[5]C[5,5])(C[5]C[5]H)(NC)	C[5](C[5]C[5,5]C)(C[5]O[5]N)(H){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]H)(COO){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](O[5]C[5,5])(C[5]C[5]H)(NC){3|C<3>}	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	108.4860	7.984	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	2:3:2:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-2:C[5]-3:O-2:	C[5](C[5]C[5,5]C[6a])(C[5]N[5]O)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[5,5])(C[5]C[5]H)(OC)	C[5](C[5]C[5,5]C[6a])(C[5]N[5]O)(H){4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	C[5](N[5]C[5,5])(C[5]C[5]H)(OC){3|C<3>}	106.4880	0.000	1	106.4880	0.000	1	106.4880	0.000	1	108.4860	7.984	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	2:3:4:	C[5]-3:C[5]-3:I-1:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-2:C[5]-3:C-4:	C[5](C[5]C[5,6]C[6a])(C[5]N[5]C)(I)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[5](N[5]C[5,6])(C[5]C[5]I)(CF3)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]C)(I){4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[5,6])(C[5]C[5]I)(CF3){3|C<3>}	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:Br-1:	C[5]-4:C[5]-3:N[6]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Br)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(N[6]C[6]2)	C[5](C[5]C[5]Br)(O[5]C[5])(O)	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Br){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]O[5]HO)(C[5]C[5]Br)(N[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]Br)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<2>}	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	110.0297	0.480	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N[5])(C[5]O[5]O)(Cl)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]N[5])(C[5]O[5]O)(Cl){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<2>}	110.1210	0.000	1	110.1210	0.000	1	110.1210	0.000	1	110.0297	0.480	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:Cl-1:	C[5]-4:C[5]-3:N[6]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Cl)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]N[6])(C[5]O[5]O)(Cl){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[6]C[6]2){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<2>}	110.3357	0.277	3	110.3357	0.077	3	110.3357	0.077	3	110.0297	0.480	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){4|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(O){3|C<3>}	110.4370	0.000	1	110.4370	0.000	1	110.2770	0.051	2	110.0297	0.480	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,2|C<3>}	110.1170	0.000	1	110.1170	0.000	1	110.2770	0.051	2	110.0297	0.480	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:2:2:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:O-2:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(OC)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){4|C<3>}	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(OC){3|C<3>}	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){1|C<4>,4|C<3>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O){2|H<1>,4|C<3>}	112.1750	0.000	1	111.9993	0.092	3	111.9993	0.092	3	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){2|C<3>,3|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O){1|C<3>,2|H<1>,3|C<4>}	112.1730	0.000	1	111.9993	0.092	3	111.9993	0.092	3	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){2|C<4>,3|C<3>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O){2|C<3>,2|C<4>,2|H<1>}	111.6500	0.000	1	111.9993	0.092	3	111.9993	0.092	3	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:Br-1:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(Br)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5](N[5]C[5,6]C)(C[5]C[5]Br)(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(Br){2|C<4>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]Br)(O){1|C<4>,2|C<3>}	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	As[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H)	C[5](As[5]C[6a]C[5]Au)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H)	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H){1|Au<2>,4|C<3>}	C[5](As[5]C[6a]C[5]Au)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H){1|Au<2>,4|C<3>}	118.5920	0.018	2	118.5920	0.000	2	118.5920	0.000	2	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[3]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[3]C[5])(C[5]N[5]O)(H)	C[5](C[3]C[3]2H)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[3]C[5])(C[5]N[5]O)(H){1|H<1>,1|N<2>,3|C<4>}	C[5](C[3]C[3]2H)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|N<2>}	110.5210	0.000	1	110.5210	0.000	1	110.5210	0.000	1	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.3405	0.309	2	110.3073	0.024	6	110.3073	0.024	6	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,1|S<3>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	110.3410	0.000	1	110.3073	0.024	6	110.3073	0.024	6	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.2740	0.099	3	110.3073	0.024	6	110.3073	0.024	6	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(H)	C[5](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.2305	0.183	2	110.2305	0.034	2	110.2305	0.034	2	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H)	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.8970	0.031	3	109.8970	0.001	3	110.2092	0.391	4	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H){5|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O){1|H<1>,4|C<3>}	111.1460	0.000	1	111.1460	0.000	1	110.2092	0.391	4	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:B-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]B)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(BC[6a]2)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]B)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(BC[6a]2){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|B<3>,2|H<1>}	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]2Ni)(C[5]C[5]H)2	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(H){1|Ni<7>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2Ni)(C[5]C[5]H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5]H)2(H){1|C<4>,1|H<1>}	108.3000	0.126	2	108.3000	0.016	2	108.3000	0.016	2	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,2|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>}	109.0060	0.000	1	109.0060	0.000	1	109.2690	0.138	2	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5]2)(C[5]N[5]O)(H){1|Fe<10>,1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>}	109.5320	0.000	1	109.5320	0.000	1	109.2690	0.138	2	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H){1|Fe<10>,1|Ni<6>,1|H<1>,2|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5]H){1|Ni<6>,2|C<4>,3|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.3760	0.028	2	105.3760	0.001	2	105.3760	0.001	2	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]2Fe)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H){1|Fe<10>,1|Ni<4>,3|C<4>}	C[5](C[5]C[5]2Fe)(N[5]N[5]Ni)(C[5]C[5]H){3|C<4>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<4>,1|C<4>}	105.6790	0.000	1	105.6790	0.000	1	105.7120	0.002	2	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]2Fe)(N[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H){1|Fe<10>,1|Pd<4>,3|C<4>}	C[5](C[5]C[5]2Fe)(N[5]N[5]Pd)(C[5]C[5]H){3|C<4>,3|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|C<4>}	105.7450	0.000	1	105.7450	0.000	1	105.7120	0.002	2	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Zn<4>,2|C<4>,2|H<1>}	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|C<4>,5|H<1>}	C[5](N[5]N[5]Zn)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	105.8351	0.284	7	105.8351	0.081	7	105.8351	0.081	7	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5,6]-4:C[5]-3:C-3:	C[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(COO)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(H){1|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O){2|C<4>,3|C<3>}	111.8485	0.173	2	111.8485	0.030	2	111.8485	0.030	2	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	N[5]-4:C-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]FeN)(CC[5a]C[6a])(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|N<3>}	C[5](N[5]C[5]FeN)(CC[5a]C[6a])(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|N<3>}	108.6230	0.482	2	108.6230	0.233	2	108.6230	0.233	2	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	P-4:S[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]P)(H)	C[5](PC[5a]C[6a]Rh)(S[5]C[5]Rh)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]P)(H){1|Rh<4>,1|H<1>}	C[5](PC[5a]C[6a]Rh)(S[5]C[5]Rh)(C[5]C[5]H){2|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]H)(H){1|Rh<4>,1|P<4>}	113.3990	0.000	1	113.3990	0.000	1	113.3990	0.000	1	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|C<4>,4|C<3>}	C[5](P[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|C<4>,4|C<3>}	116.6835	0.200	2	116.6835	0.040	2	116.5001	0.080	11	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5]Au)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|Au<2>,4|C<3>}	C[5](P[5]C[6a]C[5]Au)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|Au<2>,4|C<3>}	116.3757	0.299	4	116.3757	0.089	4	116.5001	0.080	11	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|C<4>,4|C<3>}	C[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|C<4>,4|C<3>}	116.5262	0.299	5	116.5262	0.090	5	116.5001	0.080	11	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:I-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]I)(O)	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I){2|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]I)(O){1|C<4>,2|H<1>,3|C<3>}	111.2843	0.107	3	111.2843	0.011	3	111.2843	0.011	3	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:I-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I){2|C<4>,3|C<3>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O){2|C<3>,2|C<4>,2|H<1>}	111.5460	0.000	1	111.5460	0.000	1	111.4643	0.011	3	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:I-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I)	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I){2|C<4>,3|C<3>}	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]I){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O){1|C<4>,2|H<1>,3|C<3>}	111.4235	0.112	2	111.4235	0.013	2	111.4643	0.011	3	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:I-1:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(I)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[5](N[5]C[5,6]C)(C[5]C[5]I)(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(I){1|C<4>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6]C)(C[5]C[5]I)(O){3|C<3>}	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:O-1:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5]H)(O)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CHH)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5]H)(O){3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	106.7810	0.000	1	106.7810	0.000	1	106.7810	0.000	1	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CHH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(O){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCC){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	106.6624	0.121	5	106.6624	0.015	5	106.7038	0.022	6	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	106.9110	0.000	1	106.9110	0.000	1	106.7038	0.022	6	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:O-1:	P-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]P)(O)	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P)	C[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)2(H){2|P<4>}	106.7700	0.021	2	106.7700	0.000	2	106.7700	0.000	2	110.3878	14.287	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:2:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){1|H<1>,2|C<3>}	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	108.0710	5.538	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:2:	C[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]C)(C[5]C[5]O)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]C)(C[5]C[5]O)(O){3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){1|C<3>,2|C<4>}	106.4070	0.000	1	106.4070	0.000	1	106.4070	0.000	1	108.0710	5.538	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:N[5]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[3x6]N[5])(C[5]C[6]N[5])(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	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>}	C[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,1|C<3>,3|C<4>,6|H<1>}	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>}	105.8860	0.000	1	105.8860	0.000	1	105.8860	0.000	1	108.9034	3.853	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]C)(H){5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,5|C<3>}	110.3590	0.000	1	110.3590	0.000	1	110.3590	0.000	1	108.9034	3.853	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5]H)(N[5]C[5]S)(CC[6a]2)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(COO){1|S<4>,3|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CC[6a]2){1|H<1>,2|C<3>}	110.8790	0.000	1	110.8790	0.000	1	110.8790	0.000	1	108.9034	3.853	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5]-3:	C-3:N[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H)	C[5](CC[5a]C[6a])(N[5]C[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]N[5]C)(H){1|Ni<4>,1|O<2>,3|C<3>}	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|N<3>,4|C<3>}	C[5](CC[5a]C[6a])(N[5]C[5]Ni)(C[5]C[5]H){1|O<2>,2|C<3>}	108.6965	0.446	2	108.6965	0.199	2	108.6965	0.199	2	108.9034	3.853	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:F-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C)(F)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C)(F){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3){1|C<3>,2|C<4>,3|H<1>}	114.4360	0.000	1	114.4360	0.000	1	114.4360	0.000	1	111.0335	8.626	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]C)(H){5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH){5|C<3>}	111.6850	0.487	3	111.6850	0.237	3	111.6850	0.237	3	111.0335	8.626	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5,6]C[6a])(C[5]C[5]C)(H){1|N<3>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH){3|C<3>}	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	111.0335	8.626	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]Si)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]Si)	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]Si)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]Si){1|Si<4>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3){1|C<3>,2|H<1>}	114.6600	0.000	1	114.6600	0.000	1	114.6600	0.000	1	111.0335	8.626	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]2Fe)(N[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){1|Fe<10>,1|Ni<4>,3|C<4>}	C[5](C[5]C[5]2Fe)(N[5]N[5]Ni)(C[5]C[5]H){2|H<1>,4|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	111.0335	8.626	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)2(O){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	107.8940	0.000	1	107.8940	0.000	1	107.8940	0.000	1	111.0335	8.626	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:F-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(F)	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP)	C[5](C[5]C[5]FF)(C[5]C[5]F)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(F){4|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP){1|O<1>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]F)(O){1|C<3>,2|F<1>}	117.2710	0.000	1	117.2710	0.000	1	117.2710	0.000	1	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[4,5]-4:C[5]-3:C-3:	C[4,5]-4:C[5]-3:H-1:	C[5](C[5]C[4,5]C)(C[5]C[4,5]H)(H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CC[6a]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(H)	C[5](C[5]C[4,5]C)(C[5]C[4,5]H)(H){2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,3|C<3>}	113.0340	0.000	1	113.0340	0.000	1	113.0340	0.000	1	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(O)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(O){1|C<4>,1|H<1>,4|C<3>}	111.3890	0.000	1	111.3890	0.000	1	111.3890	0.000	1	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCC)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCC){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	112.1610	0.000	1	112.1610	0.000	1	112.2360	0.011	2	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	112.3110	0.000	1	112.3110	0.000	1	112.2360	0.011	2	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CHN)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CHN){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.7530	0.000	1	110.7530	0.000	1	110.7530	0.000	1	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|O<2>,5|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O){1|O<2>,6|C<3>}	112.2370	0.141	2	112.2370	0.020	2	111.6236	1.036	5	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]H)(O){1|C<4>,1|O<2>,5|C<3>}	112.5700	0.000	1	112.5700	0.000	1	111.6236	1.036	5	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(O){2|H<1>,3|C<3>}	110.5370	0.337	2	110.5370	0.113	2	111.6236	1.036	5	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.6365	0.674	2	111.6365	0.454	2	111.6585	0.152	4	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.6730	0.000	1	111.6805	0.000	2	111.6585	0.152	4	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.6880	0.000	1	111.6805	0.000	2	111.6585	0.152	4	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH){1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	112.0735	0.183	2	112.0735	0.034	2	111.8236	0.230	7	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]2)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]2){1|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){2|H<1>,3|C<3>}	111.6360	0.000	1	111.6360	0.000	1	111.8236	0.230	7	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(CC[6a]2)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(CC[6a]2){2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|H<1>,4|C<3>}	111.8790	0.000	1	111.8790	0.000	1	111.8236	0.230	7	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCN)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	111.2650	0.000	2	111.2650	0.000	2	111.8236	0.230	7	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CHH)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CHH){2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	112.5730	0.000	1	112.5730	0.000	1	111.8236	0.230	7	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]HO)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(CCH){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<2>}	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]C[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]2)(C[5]C[5]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|O<1>}	110.6940	0.356	2	110.6940	0.127	2	110.6940	0.127	2	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:H-1:	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)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	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[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	112.3750	0.000	1	112.3750	0.000	1	112.3210	0.006	2	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:H-1:	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)	C[5](C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){2|C<4>,2|H<1>,2|N<3>}	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[5](C[5]C[5]HN)(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>}	112.2670	0.000	1	112.2670	0.000	1	112.3210	0.006	2	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(NC[6a]H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|N<3>,2|H<1>}	109.5960	0.000	1	109.5960	0.000	1	109.6238	0.091	4	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(NHH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(NHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|N<3>,2|H<1>}	110.0450	0.000	1	110.0450	0.000	1	109.6238	0.091	4	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(NCH)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]H)(NCH){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|H<1>,1|N<3>,1|O<2>}	109.3370	0.000	1	109.3370	0.000	1	109.6238	0.091	4	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCC)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<3>}	109.5170	0.000	1	109.5170	0.000	1	109.6238	0.091	4	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<3>}	110.1520	0.000	1	110.1520	0.000	1	110.1520	0.000	1	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){1|C<6>,2|C<4>,3|H<1>}	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2{2|C<4>,5|B<6>,7|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	107.8435	0.064	2	107.8435	0.004	2	107.8435	0.004	2	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-4:N[5]-3:C[5]-3:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5]C[6]N[5])(C[5]C[3,5]H)(H)	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Co)(C[5]C[5]H)	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]C[3,5]H)(H){1|Co<5>,1|C<3>,4|C<4>}	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Co)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H){1|Co<5>,1|C<3>,1|N<3>,3|C<4>}	107.5832	0.616	4	107.5832	0.380	4	107.1643	0.454	8	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[6]-4:N[5]-3:C[5]-3:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5]C[6]N[5])(C[5]C[3,5]H)(H)	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Fe)(C[5]C[5]H)	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]C[3,5]H)(H){1|Fe<5>,1|C<3>,4|C<4>}	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Fe)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[5](C[3,5]C[3,5]C[3,6]N[5])(C[5]C[5]H)(H){1|Fe<5>,1|C<3>,1|N<3>,3|C<4>}	106.7452	0.459	4	106.7452	0.211	4	107.1643	0.454	8	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	P-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](PC[6a]C[5]S)(C[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|Fe<8>,2|H<1>}	C[5](PC[6a]C[5]S)(C[5]C[5]Fe)(C[5]C[5]H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|Fe<8>,1|P<4>}	107.9125	0.805	2	107.9125	0.649	2	107.9125	0.649	2	110.4001	5.002	45	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:F-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(F)	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP)	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP)	C[5](C[5]C[5]C)2(F){4|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP){1|C<3>,2|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP){1|C<3>,2|F<1>}	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1	109.6857	5.604	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)2(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	110.6210	0.362	3	110.6210	0.131	3	109.8473	2.482	4	109.6857	5.604	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(H){2|C<3>}	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	107.5260	0.000	1	107.5260	0.000	1	109.8473	2.482	4	109.6857	5.604	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCC)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,4|H<1>,7|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCC){1|C<4>,1|H<1>,4|C<3>}	111.8590	0.000	1	111.8590	0.000	1	111.8590	0.000	1	109.6857	5.604	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]2){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO){2|C<2>,3|C<3>}	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	109.6857	5.604	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCC)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCC){1|O<2>,2|C<3>}	111.1450	0.000	1	111.1450	0.000	1	111.1450	0.000	1	109.6857	5.604	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]C)2(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<3>,2|H<1>}	107.6230	0.000	1	107.6230	0.000	1	108.3286	0.126	11	109.6857	5.604	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5a]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5a]H)	C[5](C[5]C[5]C)2(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5a]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5a]H){1|C<3>,2|H<1>}	108.5560	0.000	1	108.5560	0.000	1	108.3286	0.126	11	109.6857	5.604	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]C)2(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	108.2010	0.000	1	108.2010	0.000	1	108.3286	0.126	11	109.6857	5.604	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]C)2(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	108.4044	0.305	8	108.4044	0.093	8	108.3286	0.126	11	109.6857	5.604	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:H-1:	P[5]-4:C[5]-3:B-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]B)(H)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]H)(BC[6a]2)	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]B)(H){1|C<2>,1|C<3>,2|H<1>}	C[5](P[5]C[6a]C[5]C)(C[5]C[5]H)(BC[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<3>,1|C<2>,1|C<3>}	119.9980	0.000	1	119.9980	0.000	1	119.9980	0.000	1	119.1965	1.285	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:H-1:	S[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]S[5]C)(H)	C[5](S[5]C[5]OO)(C[5]C[5]H)(CCC)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]S[5]C)(H){1|C<3>,1|H<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]H)(CCC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3){2|O<1>,3|C<3>}	118.3950	0.000	1	118.3950	0.000	1	118.3950	0.000	1	119.1965	1.285	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3)	C[5](O[5]C[5,5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H){2|C<4>}	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]H)(O){3|C<4>}	110.1170	0.000	1	110.1170	0.000	1	109.8153	0.930	3	109.8347	0.622	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3)	C[5](O[5]C[5,5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]H)(O){1|O<2>,2|C<4>}	109.6645	1.313	2	109.6645	1.724	2	109.8153	0.930	3	109.8347	0.622	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	2:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]O[5]O)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3)	C[5](O[5]C[5,6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6]C)(C[5]O[5]O)(H){2|C<4>}	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]H)(O){3|C<4>}	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	109.8347	0.622	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){3|C<4>}	109.5590	0.000	1	109.5590	0.000	1	109.4864	0.170	5	109.4864	0.170	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,2|C<4>}	109.7490	0.000	1	109.7490	0.000	1	109.4864	0.170	5	109.4864	0.170	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,2|C<4>}	109.9880	0.000	1	109.9880	0.000	1	109.4864	0.170	5	109.4864	0.170	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH){1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,2|C<4>}	109.0680	0.068	2	109.0680	0.005	2	109.4864	0.170	5	109.4864	0.170	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:2:4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){2|C<4>}	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3){1|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(CH3){3|C<4>}	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5,6,6]C)(C[5]N[5,5]O)(H)	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3)	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5]H)(O)	C[5](C[5]C[5,5,6,6]C)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5]H)(O){1|H<1>,2|C<3>,3|C<4>}	110.7780	0.000	1	110.7780	0.000	1	110.7780	0.000	1	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:C-4:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]O)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]O)(H){1|C<3>,2|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O){1|H<1>,2|C<4>,3|C<3>}	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H){1|C<3>,2|C<4>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	110.2140	0.000	1	110.5255	0.194	2	110.5255	0.194	2	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H){1|C<4>,2|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O){1|C<4>,2|H<1>,3|C<3>}	110.8370	0.000	1	110.5255	0.194	2	110.5255	0.194	2	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]C)(C[5]N[5]O)(H){1|C<4>,2|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|C<4>,2|C<3>}	110.0335	0.189	4	110.0335	0.036	4	110.0335	0.036	4	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){3|C<4>}	114.3470	0.000	1	114.3470	0.000	1	110.9112	6.437	6	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]FeH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Fe<8>,2|H<1>}	C[5](C[5]C[5]FeH)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Fe<8>,1|C<4>,1|H<1>}	109.4900	0.000	1	109.4900	0.000	1	110.9112	6.437	6	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]B)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|B<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|B<3>,1|H<1>}	C[5](C[5]C[5]B)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	109.0920	0.000	1	109.0920	0.000	1	110.9112	6.437	6	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<4>,2|H<1>}	110.9880	3.862	2	110.9880	14.917	2	110.9112	6.437	6	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CNNY)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CNNY){2|H<1>}	C[5](C[5]C[5]H)2(H){1|C<4>,2|H<1>}	110.5620	0.000	1	110.5620	0.000	1	110.9112	6.437	6	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	111.5660	0.175	3	111.5660	0.031	3	111.3052	0.199	6	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO)	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	111.3265	0.213	2	111.3265	0.045	2	111.3052	0.199	6	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]C)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	110.4800	0.000	1	110.4800	0.000	1	111.3052	0.199	6	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]H)(N[5]C[5]S)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH){1|O<1>,1|S<4>}	C[5](C[5]C[5]H)(N[5]C[5]S)(O){1|C<4>,2|H<1>}	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:Si-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]AlH)(C[5]C[5]H)(SiSiCC)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){1|Al<4>,2|H<1>}	C[5](C[5]C[5]AlH)(C[5]C[5]H)(SiSiCC){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Al<4>,1|Si<4>,1|H<1>}	110.3080	0.000	1	110.3080	0.000	1	110.1040	0.083	2	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:Si-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]FeH)(C[5]C[5]H)(SiC[5]CC)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){1|Fe<8>,2|H<1>}	C[5](C[5]C[5]FeH)(C[5]C[5]H)(SiC[5]CC){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Fe<8>,1|Si<4>,1|H<1>}	109.9000	0.000	1	109.9000	0.000	1	110.1040	0.083	2	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	S[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](S[5]C[5]OO)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|C<4>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|C<4>,2|O<1>}	115.7040	0.273	2	115.7040	0.074	2	115.7040	0.074	2	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:H-1:	S[5]-4:C[5]-3:Si-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]S[5]Si)(C[5]C[5]H)(H)	C[5](S[5]C[5]OO)(C[5]C[5]H)(SiC3)	C[5](C[5]S[5]Si)(C[5]C[5]H)(H)	C[5](C[5]S[5]Si)(C[5]C[5]H)(H){1|Si<4>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]H)(SiC3){1|Si<4>,1|H<1>}	C[5](C[5]S[5]Si)(C[5]C[5]H)(H){1|Si<4>,2|O<1>}	115.8180	0.000	1	115.8180	0.000	1	115.8180	0.000	1	111.3233	4.232	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	112.4445	0.132	2	112.4445	0.017	2	112.3257	0.154	6	108.4349	7.866	20	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	112.3735	0.815	2	112.2662	0.237	4	112.3257	0.154	6	108.4349	7.866	20	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(H)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	112.1590	0.010	2	112.2662	0.237	4	112.3257	0.154	6	108.4349	7.866	20	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3)	C[5](N[5]C[5]Pt)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Pt<6>,1|C<3>,1|O<2>}	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3){1|Pt<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]C[5]Pt)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>,1|O<2>}	109.1320	0.061	2	109.1320	0.004	2	109.1320	0.004	2	108.4349	7.866	20	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]CY)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	C[5](C[5]N[5]C)2(H){1|Y<15>,1|C<4>}	C[5](N[5]N[5]CY)(C[5]C[5]H)(CH3){1|C<4>}	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){2|C<4>}	106.3668	0.172	6	106.3668	0.029	6	106.3668	0.029	6	108.4349	7.866	20	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li2)(C[5]C[5]H)(CC3)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]C)2(H){3|Li<3>}	C[5](N[5]N[5]Li2)(C[5]C[5]H)(CC3){1|Li<3>,1|C<4>}	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3){2|Li<3>,1|C<4>}	105.6945	0.171	4	105.6945	0.029	4	106.3797	1.144	6	108.4349	7.866	20	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	N[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]RhC)(C[5]C[5]H)(CH3)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|C<4>}	C[5](N[5]N[5]RhC)(C[5]C[5]H)(CH3){1|C<4>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){2|C<4>}	107.7500	0.006	2	107.7500	0.000	2	106.3797	1.144	6	108.4349	7.866	20	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	110.5630	0.000	1	110.5630	0.000	1	110.9265	0.264	2	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	111.2900	0.000	1	111.2900	0.000	1	110.9265	0.264	2	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(O)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H){4|C<4>}	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(O){2|C<3>,4|C<4>}	112.3350	0.000	1	112.3350	0.000	1	111.9620	0.278	2	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3)	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(O)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H){2|C<4>,2|O<2>}	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3){1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(O){1|O<2>,5|C<4>}	111.5890	0.000	1	111.5890	0.000	1	111.9620	0.278	2	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O){3|C<4>,3|H<1>}	111.0275	0.407	4	111.0275	0.165	4	111.0275	0.165	4	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]H)(O)	C[5](C[5]C[5,6,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	110.0570	0.000	1	110.0570	0.000	1	110.3370	0.236	3	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O){1|C<3>,1|O<1>,3|C<4>}	110.0560	0.000	1	110.0560	0.000	1	110.3370	0.236	3	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	110.8980	0.000	1	110.8980	0.000	1	110.3370	0.236	3	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<4>,2|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	110.2200	0.000	1	110.2200	0.000	1	110.8466	0.415	16	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	111.0350	0.333	3	111.0350	0.111	3	110.8466	0.415	16	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	110.9073	0.486	3	110.9073	0.236	3	110.8466	0.415	16	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	110.3660	0.000	1	110.3660	0.000	1	110.8466	0.415	16	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	111.4190	0.375	2	111.4190	0.140	2	110.8466	0.415	16	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|O<2>,2|C<4>}	109.9287	0.162	3	109.9287	0.026	3	110.8466	0.415	16	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	111.3980	0.000	1	111.3980	0.000	1	110.8466	0.415	16	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	111.7900	0.000	1	111.7900	0.000	1	110.8466	0.415	16	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<2>}	111.3210	0.000	1	111.3210	0.000	1	110.8466	0.415	16	110.9141	0.412	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](CC[6a]2C[5])(C[5]C[5]H)2	C[5](C[5]C[5]C)2(H){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](CC[6a]2C[5])(C[5]C[5]H)2{1|C<4>,2|H<1>}	111.1450	0.000	1	111.1450	0.000	1	111.1450	0.000	1	111.6195	0.450	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHN)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)2(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHN){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCH){1|C<4>,2|H<1>}	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	111.6195	0.450	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:Si-4:	C[5,6]-4:C[5]-3:Si-4:	C[5](C[5]C[5,6]Si)2(H)	C[5](C[5,6]C[5,6]C[6]Zr)(C[5]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]Zr)(C[5]C[5]H)(SiC3)	C[5](C[5]C[5,6]Si)2(H){1|Zr<12>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Zr)(C[5]C[5]H)(SiC3){1|Si<4>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Zr)(C[5]C[5]H)(SiC3){1|Si<4>,1|H<1>,2|C<4>}	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:4:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]O[5]O)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]O[5]O)(H){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]O[5]HH)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	109.2498	0.601	14	109.2498	0.361	14	109.2837	0.352	15	109.3399	0.379	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:4:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]O[5]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<4>,2|H<1>}	109.7580	0.000	1	109.7580	0.000	1	109.2837	0.352	15	109.3399	0.379	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:4:3:	3:2:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C[6])(C[5]O[5]O)(H)	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|O<2>,2|C<4>}	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	109.3399	0.379	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]ZnH)(CC[6,6]CH)(C[5]C[5]H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Zn<4>,2|H<1>}	C[5](C[5]C[5]ZnH)(CC[6,6]CH)(C[5]C[5]H){2|H<1>}	C[5](C[5]C[5]H)2(H){1|Zn<4>,1|C<4>,1|H<1>}	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	114.0665	10.526	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5]C[6])(C[5]N[5]H)(H){3|C<4>,3|H<1>}	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H){1|B<4>,2|C<4>,5|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H){1|C<4>,2|H<1>}	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	114.0665	10.526	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	C[6,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6,6]C[5])(C[5]C[5]H)(H)	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5]C[5]H)2(H)	C[5](C[5]C[6,6]C[5])(C[5]C[5]H)(H){3|C<4>,3|H<1>}	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H){1|O<2>,4|H<1>,6|C<4>}	C[5](C[5]C[5]H)2(H){1|H<1>,2|C<4>}	110.5130	0.000	1	110.5130	0.000	1	110.5130	0.000	1	114.0665	10.526	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	P[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5]Mo)(C[5]C[5]2Fe)(C[5]C[5]H)	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H){1|Fe<10>,1|Mo<6>,1|C<3>,3|C<4>}	C[5](P[5]C[6a]C[5]Mo)(C[5]C[5]2Fe)(C[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H){1|Fe<10>,1|Mo<6>,1|C<3>,3|C<4>}	115.3205	0.293	2	115.3205	0.086	2	115.9010	0.474	8	114.0665	10.526	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	P[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5]Se)(C[5]C[5]2Fe)(C[5]C[5]H)	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H){1|Fe<10>,1|Se<1>,1|C<3>,3|C<4>}	C[5](P[5]C[6a]C[5]Se)(C[5]C[5]2Fe)(C[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H){1|Fe<10>,1|Se<1>,1|C<3>,3|C<4>}	116.7590	0.066	2	116.7590	0.004	2	115.9010	0.474	8	114.0665	10.526	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:H-1:	P[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5]W)(C[5]C[5]2Fe)(C[5]C[5]H)	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H){1|Fe<10>,1|C<3>,1|W<6>,3|C<4>}	C[5](P[5]C[6a]C[5]W)(C[5]C[5]2Fe)(C[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]P[5])(C[5]C[5]H)(H){1|Fe<10>,1|C<3>,1|W<6>,3|C<4>}	115.7622	0.579	4	115.7622	0.335	4	115.9010	0.474	8	114.0665	10.526	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:4:3:	4:3:1:	C[5]-3:C[5]-3:H-1:	C[4]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[4]C[5])(C[5]C[5]O)(H)	C[5](C[4]C[4,5]2H)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(O)	C[5](C[5]C[4]C[5])(C[5]C[5]O)(H){2|C<4>,5|H<1>}	C[5](C[4]C[4,5]2H)(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	4:4:3:	4:4:3:	C[5]-3:C[5]-3:H-1:	C[5,6]-4:Si-4:C[5]-3:	C[5,6]-4:Si-4:C[5]-3:	C[5](C[5]C[5,6]Si)2(H)	C[5](C[5,6]C[5,6]C[6]Zr)(SiC[6a]CC)(C[5]C[5]H)	C[5](C[5,6]C[5,6]C[6]Zr)(SiC[6a]CC)(C[5]C[5]H)	C[5](C[5]C[5,6]Si)2(H){1|Zr<12>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Zr)(SiC[6a]CC)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Zr)(SiC[6a]CC)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<4>}	112.7240	0.000	1	112.7240	0.000	1	112.7240	0.000	1	112.7240	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:1:	6:3:4:	3:3:4:	C[5]-3:C[5]-3:H-1:	Nb[3,3,5]-6:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]Nb[3,3,5]C)(C[5]N[5]C)(H)	C[5](Nb[3,3,5]Nb[3,3,5]N[5]O[3]2N)(C[5]C[5]H)(CH3)	C[5](N[5]Nb[3,3,5]C[6a])(C[5]C[5]H)(CH3)	C[5](C[5]Nb[3,3,5]C)(C[5]N[5]C)(H){1|Nb<6>,1|C<3>,1|N<2>,2|O<2>}	C[5](Nb[3,3,5]Nb[3,3,5]N[5]O[3]2N)(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5](N[5]Nb[3,3,5]C[6a])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,2|C<3>,2|O<2>}	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:Cl-1:	C[5]-3:N[5]-2:Cl-1:	C[5](C[5]N[5]Cl)2(NN)	C[5](C[5]C[5]N)(N[5]N[5])(Cl)	C[5](C[5]C[5]N)(N[5]N[5])(Cl)	C[5](C[5]N[5]Cl)2(NN)	C[5](C[5]C[5]N)(N[5]N[5])(Cl){1|Cl<1>}	C[5](C[5]C[5]N)(N[5]N[5])(Cl){1|Cl<1>}	103.3940	0.000	1	103.3940	0.000	1	103.3940	0.000	1	103.3940	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:1:	3:3:2:	C[5]-3:C[5]-3:O-2:	C[5]-3:Se[5]-2:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]Se[5]H)(C[5]C[5]O)(OC)	C[5](C[5]C[5]O)(Se[5]C[5])(H)	C[5](C[5]Se[5]H)(C[5]C[5]O)(OC)	C[5](C[5]Se[5]H)(C[5]C[5]O)(OC){1|H<1>}	C[5](C[5]C[5]O)(Se[5]C[5])(H){1|H<1>,1|O<2>}	C[5](C[5]Se[5]H)(C[5]C[5]O)(OC){1|H<1>}	115.1052	0.085	4	115.1052	0.007	4	115.1052	0.007	4	115.1052	0.007	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:N-2:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]O)(NN)	C[5](C[5]C[5]N)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]N)(O)	C[5](C[5]C[5]O)(C[5]O[5]O)(NN){1|C<4>,1|H<1>}	C[5](C[5]C[5]N)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]N)(O){1|O<1>}	109.0120	0.000	1	109.0120	0.000	1	109.0120	0.000	1	107.7146	1.912	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(OSi)	C[5](C[5]C[5]O)(O[5]C[5])(O)	C[5](C[5]O[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(OSi){1|C<3>,1|C<4>}	C[5](C[5]C[5]O)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]O)(H){1|O<1>}	108.5778	0.321	4	108.5778	0.103	4	108.5778	0.103	4	107.7146	1.912	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:S-2:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(SC)	C[5](C[5]C[5]S)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]S)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(SC){1|C<4>,1|H<1>}	C[5](C[5]C[5]S)(O[5]C[5])(O){1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]S)(H){1|O<1>}	106.1313	0.667	3	106.1313	0.445	3	106.1313	0.445	3	107.7146	1.912	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:1:	4:3:2:	C[5]-3:C[5]-3:O-2:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]O[5]O)(OH)	C[5](C[5]C[5]O)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OC)	C[5](C[5]C[5]O)(C[5]O[5]O)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]O[5]CH)(C[5]C[5]O)(OC){1|O<1>}	107.3790	0.000	1	107.3790	0.000	1	107.9589	0.137	15	107.9589	0.137	15	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:1:	4:3:2:	C[5]-3:C[5]-3:O-2:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]O[5]O)(OH)	C[5](C[5]C[5]O)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OH)	C[5](C[5]C[5]O)(C[5]O[5]O)(OH){1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]O[5]CH)(C[5]C[5]O)(OH){1|O<1>}	108.0003	0.346	14	108.0003	0.120	14	107.9589	0.137	15	107.9589	0.137	15	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(CN)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CN){2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|O<1>}	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:S-2:	C[5]-3:S[5]-2:S-2:	C[5]-3:S[5]-2:S-1:	C[5](C[5]S[5]S)2(SC)	C[5](C[5]C[5]S)(S[5]S[5])(SC)	C[5](C[5]C[5]S)(S[5]S[5])(S)	C[5](C[5]S[5]S)2(SC)	C[5](C[5]C[5]S)(S[5]S[5])(SC){1|S<1>}	C[5](C[5]C[5]S)(S[5]S[5])(S){1|S<2>}	117.9690	0.000	1	117.9690	0.000	1	117.9580	0.000	2	117.9580	0.000	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:S-2:	C[5]-3:S[5]-2:S-2:	C[5]-3:S[5]-2:S-1:	C[5](C[5]S[5]S)2(SSn)	C[5](C[5]C[5]S)(S[5]S[5])(SSn)	C[5](C[5]C[5]S)(S[5]S[5])(S)	C[5](C[5]S[5]S)2(SSn)	C[5](C[5]C[5]S)(S[5]S[5])(SSn){1|S<1>}	C[5](C[5]C[5]S)(S[5]S[5])(S){1|S<2>}	117.9470	0.000	1	117.9470	0.000	1	117.9580	0.000	2	117.9580	0.000	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:3:2:	C[5]-3:C[5]-3:S-2:	C[5]-3:N[5]-2:N-2:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]S)(C[5]N[5]N)(SC)	C[5](C[5]C[5]S)(N[5]C[5])(NC[5a])	C[5](C[5]C[5]S)(C[5]N[5]N)(SC)	C[5](C[5]C[5]S)(C[5]N[5]N)(SC){1|N<2>}	C[5](C[5]C[5]S)(N[5]C[5])(NC[5a]){1|N<2>,1|S<2>}	C[5](C[5]C[5]S)(C[5]N[5]N)(SC){1|N<2>}	105.4560	0.123	2	105.4560	0.015	2	105.4560	0.015	2	105.4560	0.015	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:2:	3:3:3:	C[5]-3:C[5]-3:N-2:	C[5]-3:Se[5]-2:N-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]Se[5]N)(C[5]C[5]C)(NC)	C[5](C[5]C[5]N)(Se[5]C[5])(NC[6a])	C[5](C[5]Se[5]C)(C[5]C[5]N)(COO)	C[5](C[5]Se[5]N)(C[5]C[5]C)(NC){1|C<3>}	C[5](C[5]C[5]N)(Se[5]C[5])(NC[6a]){2|C<3>}	C[5](C[5]Se[5]C)(C[5]C[5]N)(COO){1|N<2>}	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	3:2:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:S[5]-2:N-3:	C[5]-3:S[5]-2:N-3:	C[5](C[5]S[5]N)2(CN)	C[5](C[5]C[5]C)(S[5]S[5])(NCH)	C[5](C[5]C[5]C)(S[5]S[5])(NCH)	C[5](C[5]S[5]N)2(CN)	C[5](C[5]C[5]C)(S[5]S[5])(NCH){1|N<3>}	C[5](C[5]C[5]C)(S[5]S[5])(NCH){1|N<3>}	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	107.4627	84.626	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	3:2:3:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5]N[5]N)2(NN)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	C[5](C[5]N[5]N)2(NN)	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|N<3>}	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|N<3>}	102.1520	0.182	2	102.1520	0.033	2	102.1520	0.033	2	107.4627	84.626	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]N)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5])(NHH)	C[5](C[5]C[5]N)(N[5]N[5]H)(O)	C[5](C[5]N[5]N)(C[5]N[5]O)(NN){1|H<1>}	C[5](C[5]C[5]N)(N[5]N[5])(NHH){1|H<1>,1|O<1>}	C[5](C[5]C[5]N)(N[5]N[5]H)(O){1|N<3>}	105.2585	0.202	2	105.2585	0.041	2	105.7630	0.382	4	107.9130	11.323	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]N)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	C[5](C[5]N[5]N)(C[5]N[5]O)(NN){1|C<4>}	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|C<4>,1|O<1>}	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|N<3>}	106.4770	0.000	1	106.4770	0.000	1	105.7630	0.382	4	107.9130	11.323	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]N)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	C[5](C[5]C[5]N)(N[5]N[5]H)(O)	C[5](C[5]N[5]N)(C[5]N[5]O)(NN){1|H<1>}	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|H<1>,1|O<1>}	C[5](C[5]C[5]N)(N[5]N[5]H)(O){1|N<3>}	106.0580	0.000	1	106.0580	0.000	1	105.7630	0.382	4	107.9130	11.323	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(OC)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(OC){1|C<3>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(H){1|N<3>,2|C<3>}	112.2130	0.000	2	112.2130	0.000	2	112.2130	0.000	2	107.9130	11.323	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	3:3:2:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]N[5]C)(OC)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5]H)	C[5](C[5]C[5]O)(C[5]N[5]C)(OC)	C[5](C[5]C[5]O)(C[5]N[5]C)(OC){1|C<3>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5]H){1|C<3>,1|O<2>}	C[5](C[5]C[5]O)(C[5]N[5]C)(OC){1|C<3>}	108.3060	0.000	1	108.3060	0.000	1	108.1000	0.085	2	108.1000	0.085	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	3:3:2:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]N[5]C)(OC)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]O)(C[5]N[5]C)(OC)	C[5](C[5]C[5]O)(C[5]N[5]C)(OC){1|C<3>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<2>}	C[5](C[5]C[5]O)(C[5]N[5]C)(OC){1|C<3>}	107.8940	0.000	1	107.8940	0.000	1	108.1000	0.085	2	108.1000	0.085	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-2:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(OC)	C[5](C[5]C[5]O)(N[5]C[5])(CHH)	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(OC){2|C<3>}	C[5](C[5]C[5]O)(N[5]C[5])(CHH){1|H<1>,2|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H){5|C<3>}	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	110.2155	5.948	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(OC)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6a]H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(OC){1|C<3>,1|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CC[6a]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(H){3|C<3>}	111.9400	0.000	1	111.9400	0.000	1	111.9400	0.000	1	110.2155	5.948	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	4:3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(CN)	C[5](C[5]C[5]C)(O[5]C[5])(CCC)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]O[5]C)(CN){2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(CCC){1|C<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|C<3>}	109.2009	0.326	20	109.2009	0.106	20	109.1726	0.118	21	109.1310	0.150	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	4:3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(CN)	C[5](C[5]C[5]C)(O[5]C[5])(CCC)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)(C[5]O[5]C)(CN){2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(CCC){1|C<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN){1|C<3>}	108.6050	0.000	1	108.6050	0.000	1	109.1726	0.118	21	109.1310	0.150	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	4:3:3:	C[5]-3:C[5]-3:S-2:	C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a])	C[5](C[5]C[5]S)(O[5]C[5])(CCC)	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]){2|C<4>}	C[5](C[5]C[5]S)(O[5]C[5])(CCC){1|C<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|C<3>}	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	109.1310	0.150	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	4:3:4:	C[5]-3:C[5]-3:C-2:	C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]C)(CN)	C[5](C[5]C[5]C)(O[5]C[5])(CCC)	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]C)(CN){2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCC){1|C<4>,2|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3){5|C<3>}	108.9257	0.109	3	108.9257	0.012	3	108.9257	0.012	3	111.9048	16.649	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:3:	4:3:4:	C[5]-3:C[5]-3:O-2:	C[5]-3:P[5]-2:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(OSi)	C[5](C[5]C[5]O)(P[5]C[5])(CCC)	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3)	C[5](C[5]C[5]C)(C[5]P[5]C)(OSi){1|C<4>,1|H<1>}	C[5](C[5]C[5]O)(P[5]C[5])(CCC){1|H<1>,2|C<4>}	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3){1|C<3>}	116.3735	0.090	2	116.3735	0.008	2	116.3735	0.008	2	111.9048	16.649	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:4:	3:2:1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]N[5]C)(C[5]O[5]O)(NN)	C[5](C[5]C[5]N)(N[5]O[5])(CH3)	C[5](C[5]C[5]N)(O[5]N[5])(O)	C[5](C[5]N[5]C)(C[5]O[5]O)(NN)	C[5](C[5]C[5]N)(N[5]O[5])(CH3){1|O<1>}	C[5](C[5]C[5]N)(O[5]N[5])(O){1|C<4>}	106.0287	1.080	3	106.0287	1.167	3	106.0287	1.167	3	106.0287	1.167	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:Se-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)2(SeC[5a])	C[5](C[5]C[5]Se)(N[5]N[5])(CH3)	C[5](C[5]C[5]Se)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)2(SeC[5a])	C[5](C[5]C[5]Se)(N[5]N[5])(CH3){1|C<4>}	C[5](C[5]C[5]Se)(N[5]N[5])(CH3){1|C<4>}	105.8430	0.000	1	105.8430	0.000	1	105.8430	0.000	1	105.8430	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|C<3>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|C<4>}	106.4850	0.373	9	106.4850	0.139	9	106.1846	0.514	13	106.1846	0.514	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C[5](C[5]C[5]N)(N[5]N[5]H)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|H<1>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]N)(N[5]N[5]H)(O){1|C<4>}	105.9565	1.166	2	105.9565	1.360	2	106.1846	0.514	13	106.1846	0.514	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(NO)	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(NO){1|C<4>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|C<4>}	105.0610	0.506	2	105.0610	0.256	2	106.1846	0.514	13	106.1846	0.514	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:2:3:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]Cl)(C[5]N[5]C)(OC)	C[5](C[5]C[5]N[5])(C[5]C[5]O)(Cl)	C[5](C[5]C[5]O)(N[5]C[5])(CCH)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(OC){1|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]O)(Cl){1|N<2>,2|C<3>}	C[5](C[5]C[5]O)(N[5]C[5])(CCH){1|Cl<1>,1|C<3>}	108.2055	0.910	2	108.2055	0.828	2	108.2055	0.828	2	108.2055	0.828	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:N-2:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O)	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	106.3145	0.333	8	106.4594	0.185	10	106.4594	0.185	10	106.6043	0.398	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:N-2:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O)	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O){1|C<4>,2|N<2>}	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	107.0390	0.229	2	106.4594	0.185	10	106.4594	0.185	10	106.6043	0.398	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:S-2:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(SC[6a])	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(O)	C[5](C[5]C[5]S)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(SC[6a]){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]S)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	106.6043	0.398	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CC){2|C<3>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	109.0812	0.452	4	109.0812	0.204	4	109.0812	0.204	4	106.6145	5.288	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:I-1:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]I)2(CN)	C[5](C[5]C[5]C)2(I)	C[5](C[5]C[5]C)2(I)	C[5](C[5]C[5]I)2(CN){2|C<3>}	C[5](C[5]C[5]C)2(I){1|C<3>,1|I<1>}	C[5](C[5]C[5]C)2(I){1|C<3>,1|I<1>}	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	106.6145	5.288	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(CN)	C[5](C[5]C[5]C)(N[5]N[5]B)(H)	C[5](N[5]N[5]Co)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(CN){1|Co<5>,1|B<3>}	C[5](C[5]C[5]C)(N[5]N[5]B)(H){1|Co<5>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]C)(H){1|B<3>,1|H<1>}	104.6255	0.129	2	104.6255	0.017	2	104.8932	0.334	4	106.6145	5.288	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(CN)	C[5](C[5]C[5]C)(N[5]N[5]B)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(CN){1|Rh<6>,1|B<4>}	C[5](C[5]C[5]C)(N[5]N[5]B)(H){1|Rh<6>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]C)(H){1|B<4>,1|H<1>}	105.1610	0.836	2	105.1610	0.699	2	104.8932	0.334	4	106.6145	5.288	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-2:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)2(CC)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	C[5](C[5]N[5,6]H)2(CC){2|B<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|H<1>,1|N<3>,2|C<4>}	104.1348	0.373	5	104.3239	0.154	8	104.3239	0.154	8	106.6145	5.288	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-2:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)2(CC)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	C[5](C[5]N[5,6]H)2(CC){2|B<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>}	104.6025	0.193	2	104.3239	0.154	8	104.3239	0.154	8	106.6145	5.288	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-2:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)2(CC)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	C[5](C[5]N[5,6]H)2(CC){2|B<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|N<3>,3|H<1>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|N<3>,3|H<1>}	104.7120	0.000	1	104.3239	0.154	8	104.3239	0.154	8	106.6145	5.288	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5,5a]-3:C[5]-3:O-1:	N[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(NN)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N)(O)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]N)(O)	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(NN){2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	109.8330	0.000	1	109.8330	0.000	1	109.8330	0.000	1	106.6145	5.288	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5](C[5]C[5,6a]O)2(NN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	108.6840	0.278	3	108.6840	0.077	3	108.6840	0.077	3	106.6145	5.288	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(SC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(SC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){2|C<3>,2|H<1>}	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	106.6145	5.288	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Se-2:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(SeC[6a])	C[5](N[5]C[6a]C[5])(C[5]C[5]Se)(O)	C[5](C[5]C[5]Se)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(SeC[6a]){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]Se)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]Se)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	106.6145	5.288	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<2>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC){2|H<1>}	107.2285	0.760	6	107.2285	0.578	6	107.2285	0.578	6	111.5847	42.138	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)2(OC)	C[5](C[5]C[5]C)(C[5]C[5]O)(O)	C[5](C[5]C[5]O)2(OC)	C[5](C[5]C[5]O)2(OC){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(O){1|O<1>,1|O<2>}	C[5](C[5]C[5]O)2(OC){1|C<3>,1|O<1>}	109.7448	0.550	4	109.7448	0.302	4	109.7448	0.302	4	111.5847	42.138	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5]-3:S[5]-2:	C[5,6a]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a])	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a]){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|C<4>,1|S<2>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a]){1|O<1>,4|C<3>}	122.4785	0.060	2	122.7503	0.223	3	122.7503	0.223	3	111.5847	42.138	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[5]-3:S[5]-2:	C[5,6a]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a])	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a]){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a]){1|O<1>,4|C<3>}	123.2940	0.000	1	122.7503	0.223	3	122.7503	0.223	3	111.5847	42.138	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)(C[5]C[5]I)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC){1|C<3>,1|I<1>}	C[5](C[5]C[5]C)(C[5]C[5]I)(H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|H<1>,1|I<1>}	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	109.0170	0.236	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-2:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]N[5]O)(CN)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]N)(NC[6]H)	C[5](C[5]C[5]N)(C[5]N[5]O)(CN){1|C<3>,1|N<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|N<2>,1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]N)(NC[6]H){1|C<3>,1|O<1>}	109.0680	0.191	2	109.0680	0.036	2	109.2257	0.093	3	109.0170	0.236	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-2:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]N[5]O)(CN)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC)	C[5](C[5]C[5]N)(C[5]N[5]O)(CN){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC){1|C<3>,1|O<1>}	109.5410	0.000	1	109.5410	0.000	1	109.2257	0.093	3	109.0170	0.236	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(OC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN){2|C<3>,2|H<1>}	113.1640	0.000	1	113.1640	0.000	1	113.1640	0.000	1	113.1640	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:1:	3:4:3:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(OC)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,3|H<1>}	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:2:3:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]O)(C[5]N[5]C)(OC)	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(OC)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5]H)	C[5](C[5]C[5]O)(C[5]N[5]C)(OC){1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(OC){1|N<3>,2|C<3>}	C[5](C[5]C[5]O)(N[5]C[5])(CC[5]H){1|C<3>,1|O<2>}	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	108.3310	1.682	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:2:3:	C[5]-3:C[5]-3:S-2:	C[5]-3:C[5]-3:S-2:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]S)(C[5]N[5]C)(SC)	C[5](C[5]C[5]N[5])(C[5]C[5]S)(SC)	C[5](C[5]C[5]S)(N[5]C[5])(CHO)	C[5](C[5]C[5]S)(C[5]N[5]C)(SC){1|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]S)(SC){1|N<2>,2|C<3>}	C[5](C[5]C[5]S)(N[5]C[5])(CHO){1|C<3>,1|S<2>}	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	108.3310	1.682	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:2:4:	C[5]-3:C[5]-3:Se-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]Se)(N[5]N[5])	C[5](C[5]C[5]Se)(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5]){1|C<3>,1|N<2>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]Se)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]Se)(N[5]N[5])(CH3){1|C<3>}	105.6275	0.197	2	105.6275	0.039	2	105.6070	0.021	3	105.6070	0.021	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:2:4:	C[5]-3:C[5]-3:Se-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]Se)(N[5]N[5])	C[5](C[5]C[5]Se)(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5a]){1|C<3>,1|N<2>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]Se)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]Se)(N[5]N[5])(CH3){1|C<3>}	105.5660	0.000	1	105.5660	0.000	1	105.6070	0.021	3	105.6070	0.021	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-2:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(CC)	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(CC){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>}	105.9940	0.216	2	105.9940	0.047	2	105.9940	0.047	2	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:O-2:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(N[5]C[5]C)(OH)	C[5](C[5]C[5]C)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CN){2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(OH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(O){1|C<3>,1|O<2>}	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(ONi)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5](C[5]C[5,6a]O)2(NN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(ONi){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|O<2>,2|C<3>}	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(NO)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]N[5])	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(NO){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]N[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|C<3>}	105.0120	0.000	1	105.0120	0.000	1	105.0120	0.000	1	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(OC)	C[5](C[5]C[5]H)(C[5]C[5]O)(OC)	C[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(OC){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(OC){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)2(H){1|H<1>,1|O<2>}	108.6330	0.366	2	108.6330	0.134	2	108.6330	0.134	2	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]Cl)(OC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]O)(C[5]N[5]C)(Cl)	C[5](C[5]C[5a]N[5])(C[5]C[5]Cl)(OC){1|N<3>,2|C<3>}	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[5](C[5]C[5]O)(C[5]N[5]C)(Cl){1|C<3>}	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(SC[6a]){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SC[6a]){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,1|S<2>,2|C<3>}	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:S-2:	C[5]-3:C[5]-3:S-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]S)(C[5]N[5]O)(SAu)	C[5](C[5]C[5]S)(C[5]N[5]O)(SAu)	C[5](C[5]C[5]S)(N[5]C[5]H)(O)	C[5](C[5]C[5]S)(C[5]N[5]O)(SAu){1|H<1>,1|O<1>}	C[5](C[5]C[5]S)(C[5]N[5]O)(SAu){1|H<1>,1|O<1>}	C[5](C[5]C[5]S)(N[5]C[5]H)(O){1|O<1>,1|S<2>}	108.8365	0.332	4	108.8365	0.110	4	108.5996	0.231	16	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:S-2:	C[5]-3:C[5]-3:S-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]S)(C[5]N[5]O)(SNi)	C[5](C[5]C[5]S)(C[5]N[5]O)(SNi)	C[5](C[5]C[5]S)(N[5]C[5]H)(O)	C[5](C[5]C[5]S)(C[5]N[5]O)(SNi){1|H<1>,1|O<1>}	C[5](C[5]C[5]S)(C[5]N[5]O)(SNi){1|H<1>,1|O<1>}	C[5](C[5]C[5]S)(N[5]C[5]H)(O){1|O<1>,1|S<2>}	108.5207	0.507	12	108.5207	0.258	12	108.5996	0.231	16	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:N[5]-3:S-1:	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|S<1>}	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|S<1>}	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	124.3475	0.605	16	124.4827	0.586	20	124.4827	0.586	20	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:N[5]-3:S-1:	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5]){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5]){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|S<2>,2|C<3>}	125.0235	1.179	4	124.4827	0.586	20	124.4827	0.586	20	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:S[5]-2:	N[5]-3:C[5]-3:S-1:	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]S[5])(S)	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5]){1|N<3>,2|C<3>,2|S<1>}	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5]){1|N<3>,2|C<3>,2|S<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]S[5])(S){1|S<1>,1|S<2>,3|C<3>}	124.0930	0.000	1	124.0930	0.000	1	124.0930	0.000	1	115.6143	68.269	46	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:C-2:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]N[5]C)(CC)	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CC)	C[5](C[5]C[5]C)(C[5]N[5]C)(CC){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CC){1|C<3>}	106.2277	0.578	7	106.2277	0.334	7	106.7511	0.599	15	108.3966	19.622	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:C-2:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]N[5]C)(CC)	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CC)	C[5](C[5]C[5]C)(C[5]N[5]C)(CC){1|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5]){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CC){1|C<3>}	107.2090	0.631	8	107.2090	0.398	8	106.7511	0.599	15	108.3966	19.622	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)2(CN)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(CN)	C[5](C[5]C[5]C)2(CN){1|C<2>,1|N<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){2|C<2>}	C[5](C[5]C[5]C)2(CN){1|C<2>,1|N<3>}	107.5420	0.000	1	107.8220	0.078	3	107.9806	0.081	28	108.3966	19.622	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)2(CN)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(CN)	C[5](C[5]C[5]C)2(CN){1|C<2>,1|N<4>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){2|C<2>}	C[5](C[5]C[5]C)2(CN){1|C<2>,1|N<4>}	107.9620	0.195	2	107.8220	0.078	3	107.9806	0.081	28	108.3966	19.622	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)2(CN)	C[5](C[5]C[5]C)2(CN)	C[5](C[5]C[5]C)2(CN)	C[5](C[5]C[5]C)2(CN){2|C<2>}	C[5](C[5]C[5]C)2(CN){2|C<2>}	C[5](C[5]C[5]C)2(CN){2|C<2>}	107.9996	0.284	25	107.9996	0.081	25	107.9806	0.081	28	108.3966	19.622	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:S-2:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(C[5]C[5]S)(CN)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC)	C[5](C[5]C[5]Ru)(C[5]C[5]C)(NS)	C[5](C[5]C[5]N)(C[5]C[5]S)(CN){1|Ru<8>,1|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC){1|Ru<8>,1|N<2>,2|C<3>}	C[5](C[5]C[5]Ru)(C[5]C[5]C)(NS){1|C<3>,1|S<2>}	106.0760	0.000	1	106.0760	0.000	1	106.0760	0.000	1	108.3966	19.622	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]N[5])(C[5]C[5]S)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]S)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]S)(SC)	C[5](C[5]C[5]N[5])(C[5]C[5]S)(N[5]C[5]){2|S<2>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]S)(N[5]C[5]){2|S<2>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]S)(SC){1|N<2>,2|C<3>}	130.7750	0.000	1	130.7750	0.000	1	130.7750	0.000	1	108.3966	19.622	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:N-2:	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5])	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5])	C[5](C[5]C[5]N[5])(N[5]O[5]O)(NN)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]N[5])(N[5]O[5]O)(NN){1|C<3>,1|N<2>}	127.2770	0.000	1	127.2770	0.000	1	127.2770	0.000	1	108.3966	19.622	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:O-2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(OC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]O)(C[5]N[5]C)(OC)	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(OC){1|N<3>,2|C<3>}	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[5](C[5]C[5]O)(C[5]N[5]C)(OC){1|C<3>}	107.3880	0.000	1	107.3880	0.000	1	107.3880	0.000	1	108.3966	19.622	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:S-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]N[5])(C[5]C[5]S)(SC)	C[5](C[5]C[5]N[5])(C[5]C[5]S)(N[5]C[5])	C[5](C[5]C[5]S)(C[5]N[5]C)(SC)	C[5](C[5]C[5]N[5])(C[5]C[5]S)(SC){1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]S)(N[5]C[5]){2|S<2>,3|C<3>}	C[5](C[5]C[5]S)(C[5]N[5]C)(SC){1|C<3>}	106.7990	0.000	1	106.7990	0.000	1	106.7990	0.000	1	108.3966	19.622	48	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(CN)	C[5](C[5]C[5]C)2(NHH)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){2|C<2>}	C[5](C[5]C[5]C)2(CN){1|C<2>,1|N<3>}	C[5](C[5]C[5]C)2(NHH){2|C<2>}	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	116.2370	230.129	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N[5])(C[5]C[5]N)(N[5]N[5])	C[5](C[5]C[5]N[5])(C[5]C[5]N)(N[5]N[5])	C[5](C[5]C[5]N[5])(C[5]N[5]N)(NOO)	C[5](C[5]C[5]N[5])(C[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<2>,2|N<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<2>,2|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]N)(NOO){1|C<3>,1|N<2>}	133.7080	0.000	1	133.7080	0.000	1	133.7080	0.000	1	116.2370	230.129	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:S-2:	C-3:C[5]-3:N[5]-2:	C-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(SP)	C[5](CC[5a]C[6a])(C[5]C[5]S)(N[5]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]S)(C[5]N[5]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(SP){1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]S)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]S)(C[5]N[5]H){1|C<3>}	106.4050	0.000	1	106.4050	0.000	1	106.4050	0.000	1	116.2370	230.129	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:N-4:	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(CN)	C[5](C[5]C[5]C)2(NH3)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){2|C<2>}	C[5](C[5]C[5]C)2(CN){1|C<2>,1|N<4>}	C[5](C[5]C[5]C)2(NH3){2|C<2>}	107.5270	0.235	2	107.5270	0.055	2	107.5270	0.055	2	111.7058	74.194	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-2:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]C)(C[5]O[5]O)(PC[6a]3)	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CC){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(PC[6a]3){1|C<3>}	107.2770	0.170	3	107.2770	0.029	3	107.2770	0.029	3	111.7058	74.194	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:N-2:	N[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(NC)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OMn)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC){1|C<3>,1|C<4>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OMn){2|C<3>,2|C<4>}	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	107.5150	0.000	1	107.5150	0.000	1	107.5150	0.000	1	111.7058	74.194	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){2|C<4>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){2|C<4>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	127.9525	1.169	2	127.9525	1.366	2	127.9525	1.366	2	111.7058	74.194	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5])(C[5]C[5]C)(OC)	C[5](C[5]C[5]O[5])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5])(C[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3){1|C<3>}	109.9350	0.000	1	109.9350	0.000	1	109.9350	0.000	1	111.7058	74.194	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:O-2:	N[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(OH)	C[5](N[5]C[6a]N[5])(C[5]C[5]O)(OH)	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(OH){1|C<3>,1|C<4>}	C[5](N[5]C[6a]N[5])(C[5]C[5]O)(OH){2|C<3>,2|C<4>}	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	106.8180	0.000	1	106.8180	0.000	1	106.8180	0.000	1	111.7058	74.194	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	3:4:3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]NiC)(CC[5a]C[6a])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){1|Ni<4>,2|C<4>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){1|Ni<4>,2|C<4>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]NiC)(CC[5a]C[6a]){1|N<2>,2|C<3>}	126.9290	0.000	1	126.9290	0.000	1	126.9290	0.000	1	126.9290	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:2:	4:3:1:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[6]-3:S[5]-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]N[6]S[5])(C[5]C[5]O)(CN)	C[5](C[5]C[5]C)(N[6]C[6]2)(S[5]C[5])	C[5](C[5]S[5]HH)(C[5]C[5]C)(O)	C[5](C[5]N[6]S[5])(C[5]C[5]O)(CN){2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[6]C[6]2)(S[5]C[5]){1|O<1>,2|C<4>,6|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(O){1|N<3>}	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CN){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	107.6910	3.661	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:N-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(NN)	C[5](C[5]C[6a]O[5])(C[5]C[5]N)(CC[6a]O)	C[5](C[5]C[5]N)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(NN){1|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]N)(CC[6a]O){1|O<1>,2|C<3>}	C[5](C[5]C[5]N)(O[5]C[5])(O){2|C<3>}	106.3380	0.000	1	106.3380	0.000	1	106.3380	0.000	1	107.6910	3.661	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<2>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	108.8068	1.737	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CN){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	109.2628	0.281	6	109.2628	0.079	6	109.2628	0.079	6	108.8068	1.737	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CN){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){2|C<3>}	109.6950	0.000	1	109.6950	0.000	1	109.6950	0.000	1	108.8068	1.737	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NMnO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NMnO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|N<3>,2|C<3>}	107.0415	0.700	6	107.0415	0.490	6	107.5294	1.169	8	108.8068	1.737	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NNiO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NNiO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|N<3>,2|C<3>}	108.9930	0.139	2	108.9930	0.019	2	107.5294	1.169	8	108.8068	1.737	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<3>}	109.5830	0.000	1	109.5830	0.000	1	109.7535	0.058	2	108.8068	1.737	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(H){2|C<3>}	109.9240	0.000	1	109.9240	0.000	1	109.7535	0.058	2	108.8068	1.737	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5]C[5]O)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	110.9600	1.820	2	110.9600	3.313	2	110.9600	3.313	2	108.8068	1.737	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a]){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,3|C<3>}	108.9850	0.051	3	108.9850	0.003	3	108.9850	0.003	3	108.8068	1.737	23	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:N-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(NN)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(NN){5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]){2|H<1>,4|C<3>}	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	109.0340	0.925	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC)	C[5](C[6a]C[6a]2)(C[5]C[5]Ru)(C[5]C[5]S)	C[5](C[5]C[5]N)(C[5]C[5]S)(CN)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC){1|Ru<8>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]Ru)(C[5]C[5]S){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(C[5]C[5]S)(CN){1|Ru<8>,1|C<3>}	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	109.0340	0.925	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[5]C)2(NHH)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CCC){1|C<2>,1|N<3>}	C[5](C[5]C[5]C)2(NHH){2|C<3>}	109.4390	0.000	1	109.4390	0.000	1	109.8928	0.076	10	110.0272	0.574	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(NHH)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<2>,1|N<3>}	C[5](C[5]C[5]C)2(NHH){2|C<3>}	109.8264	0.242	5	109.8264	0.058	5	109.8928	0.076	10	110.0272	0.574	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(CC[6a]C)	C[5](C[5]C[5]C)2(NHH)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CC[6a]C){1|C<2>,1|N<3>}	C[5](C[5]C[5]C)2(NHH){2|C<3>}	110.0892	0.146	4	110.0892	0.021	4	109.8928	0.076	10	110.0272	0.574	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){1|C<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]C){1|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|H<1>,4|C<3>}	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	110.0272	0.574	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[5](C[5]C[5]C)2(CCH){2|C<3>}	109.7690	0.000	1	109.7690	0.000	1	109.7690	0.000	1	110.0272	0.574	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	109.5717	0.452	3	109.5717	0.204	3	109.5717	0.204	3	110.0272	0.574	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])2(CN){1|C<2>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{1|C<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|H<1>,4|C<3>}	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	110.0272	0.574	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:N-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(NC)	C[5](C[5]C[5]C)(C[5]C[5]N)(COO)	C[5](C[5]C[5]C)(C[5]C[5]N)(COO)	C[5](C[5]C[5]C)2(NC){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(COO){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(COO){2|C<3>}	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	110.0272	0.574	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(OH)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]N[5]C)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O){1|C<3>,1|H<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(CCH){1|C<3>,1|O<1>}	111.9230	0.499	2	111.9230	0.249	2	111.9230	0.249	2	110.0272	0.574	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:S-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(SH)	C[5](C[5]C[5]C)(C[5]C[5]S)(COO)	C[5](C[5]C[5]C)(C[5]C[5]S)(COO)	C[5](C[5]C[5]C)2(SH){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]S)(COO){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]S)(COO){2|C<3>}	109.4240	0.379	3	109.4240	0.143	3	109.4240	0.143	3	110.0272	0.574	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5a]C[5])(C[5]C[5]O)(OC)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5]C[5a]C[5])(C[5]C[5]O)(OC){1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){1|O<1>,3|C<3>}	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CN)	C[5](C[5]C[5]C)(N[5]C[5]C)(CCC)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CN){1|O<2>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CCC){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(CCH){1|C<3>,1|C<4>}	110.4340	0.000	1	110.4340	0.000	1	110.4340	0.000	1	110.4340	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CN){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	110.1895	1.386	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(OS)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]O)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(OS){1|C<3>,1|H<1>}	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	110.1895	1.386	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:S-2:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(SC[5])	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Re)(C[5]C[5]S)(CH3)	C[5](C[5]N[5]C)2(SC[5]){1|Re<6>,1|H<1>}	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3){1|Re<6>,1|C<4>}	C[5](N[5]N[5]Re)(C[5]C[5]S)(CH3){1|C<4>,1|H<1>}	106.8342	1.190	4	106.8342	1.415	4	106.8226	1.062	5	106.8622	0.859	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:S-2:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(SC[6])	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]S)(CH3)	C[5](C[5]N[5]C)2(SC[6]){1|Co<4>,1|H<1>}	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]S)(CH3){1|C<4>,1|H<1>}	106.7760	0.000	1	106.7760	0.000	1	106.8226	1.062	5	106.8622	0.859	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Se-2:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(SeCl)	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH)	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)2(SeCl){2|H<1>}	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	106.8622	0.859	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:4:3:	3:2:1:	C[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(O){1|C<4>,2|C<3>}	110.2180	0.068	2	110.2180	0.005	2	109.6571	0.479	9	109.6571	0.479	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:4:3:	3:2:1:	C[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	109.6760	0.000	1	109.6760	0.000	1	109.6571	0.479	9	109.6571	0.479	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:4:3:	3:2:1:	C[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(O){1|C<3>,2|H<1>}	109.4670	0.772	6	109.4670	0.597	6	109.6571	0.479	9	109.6571	0.479	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:4:3:	3:2:3:	C[5]-3:C[5]-3:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CN)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CCC)	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CN){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCC){1|C<3>,2|C<4>}	109.5050	0.020	2	109.5050	0.000	2	109.5050	0.000	2	109.5050	0.000	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:4:3:	3:3:3:	C[5]-3:C[5]-3:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:N-3:	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(CN)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(NHH)	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(CN){5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(NHH){3|C<3>}	113.6100	0.000	1	113.6100	0.000	1	113.6100	0.000	1	113.6100	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	3:4:3:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5a]-3:C[5,6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]C[5a])(C[5]C[5]O)(OH)	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(O)	C[5](C[5]C[5,6]C[5a])(C[5]C[5]O)(OH){2|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(O){3|C<3>}	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-2:C-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(OC)	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H)	C[5](C[5]C[5]O)(N[5]C[5])(C)	C[5](C[5]C[5]H)(C[5]N[5]C)(OC){2|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]C[5]O)(H){1|C<1>,4|C<3>}	C[5](C[5]C[5]O)(N[5]C[5])(C){1|H<1>,2|C<3>}	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]O)(C[5]C[5]H)(OC)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]O)(O)	C[5](C[5]C[5,5]O)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]O)(C[5]C[5]H)(OC){1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]O)(O){1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[5](C[5]C[5,5]O)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:I-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(IC[6a])	C[5](C[5]C[5]HH)(C[5]C[5]I)(O)	C[5](C[5]C[5]HH)(C[5]C[5]I)(O)	C[5](C[5]C[5]O)2(IC[6a]){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]I)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]I)(O){1|O<1>,2|H<1>}	113.2385	0.822	2	113.2385	0.676	2	113.2385	0.676	2	111.2439	2.277	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(OSi)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(O)	C[5](C[5]C[5,6]H)(C[5]C[5,6]O)(OSi){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(O){1|C<3>,1|C<4>,4|H<1>}	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	111.2439	2.277	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(OH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(O){3|H<1>}	110.8573	0.406	3	110.8573	0.165	3	110.6877	0.225	4	111.2439	2.277	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(OH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){2|C<3>,3|H<1>}	110.1790	0.000	1	110.1790	0.000	1	110.6877	0.225	4	111.2439	2.277	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5,5]O)(C[5]C[5]S)(OH)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]O)(O)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,5]O)(C[5]C[5]S)(OH){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]O)(O){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(SC[6a]OO){1|O<1>,2|C<3>}	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(OH)	C[5](C[5]C[5]CO)(C[5]C[5]O)(OC)	C[5](C[5]C[5]CH)(C[5]C[5]O)(O)	C[5](C[5]C[5]O)2(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]O)(OC){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(O){1|C<3>,2|O<2>}	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	2:3:1:	C[5]-3:C[5]-3:C-2:	C[5,6]-4:C[5]-3:N[6]-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]N[6])(C[5]O[5]O)(CN)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(N[6]C[6]2)	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]N[6])(C[5]O[5]O)(CN){1|C<3>,3|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(N[6]C[6]2){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>}	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	109.7305	0.468	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	2:3:1:	C[5]-3:C[5]-3:O-2:	C[5,6]-4:C[5]-3:C-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]O[5]O)(OC)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]O)(COO)	C[5](O[5]C[5,6])(C[5]C[5]O)(O)	C[5](C[5]C[5,6]C)(C[5]O[5]O)(OC){1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]O)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]O)(O){1|C<4>,2|C<3>}	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	109.7305	0.468	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	2:3:3:	C[5]-3:C[5]-3:C-2:	C[5,6]-4:C[5]-3:C-3:	O[5]-2:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(C[5]O[5]C)(CN)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCH)	C[5](O[5]C[5,6])(C[5]C[5]C)(CCC)	C[5](C[5]C[5,6]C)(C[5]O[5]C)(CN){2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCH){1|C<3>,2|C<4>,4|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(CCC){1|C<3>,2|C<4>}	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(OC)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(COO)	C[5](C[5]C[5]O)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(OC){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(COO){1|O<1>,2|C<3>}	C[5](C[5]C[5]O)(O[5]C[5])(O){1|H<1>,2|C<3>}	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	3:2:4:	C[5]-3:C[5]-3:C-2:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CC)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]Si[5])(CC3)	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CC){2|C<3>,2|C<4>}	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]Si[5])(CC3){1|C<3>,2|C<4>}	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:N-2:	C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]N[5]O)(NC[6a])	C[5](C[5]C[5]N[5]H)(C[5]C[5]N)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O)	C[5](C[5]C[5]2)(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]N)(C[5]N[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O){1|C<4>,3|C<3>}	105.3630	0.000	1	105.3630	0.000	1	105.3630	0.000	1	109.7717	3.243	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]N[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]O)(CC[6a]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]O)(O)	C[5](C[5]C[5,5]C)(C[5]N[5]O)(OH){3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]O)(CC[6a]O){1|O<2>,2|O<1>,3|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5]O)(O){5|C<3>}	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	109.7717	3.243	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCrO)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCrO){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	109.7717	3.243	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(COO){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O){1|H<1>,4|C<3>}	110.1135	0.334	2	110.1135	0.112	2	110.1135	0.112	2	109.7717	3.243	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:Se-2:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a]){1|C<4>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O){3|C<3>}	110.7290	0.000	1	110.4620	0.057	3	110.4620	0.057	3	109.7717	3.243	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:Se-2:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a]){1|C<4>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O){3|C<3>}	110.3285	0.080	2	110.4620	0.057	3	110.4620	0.057	3	109.7717	3.243	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	3:3:2:	C[5]-3:C[5]-3:N-2:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-3:C[5]-3:C-2:	C[5](C[5]C[5,6]C)2(NC[6])	C[5](C[5,6]C[5,6]2C)(C[5]C[5]N)(COO)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]N)(CN)	C[5](C[5]C[5,6]C)2(NC[6]){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]2C)(C[5]C[5]N)(COO){1|C<2>,2|C<3>,2|O<2>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]N)(CN){1|C<4>,3|C<3>}	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS)	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	114.6030	0.000	1	114.6030	0.000	1	113.7217	0.583	3	112.2791	2.062	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]O)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS){2|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]O)(O){1|O<2>,4|C<3>}	113.2810	0.000	2	113.2810	0.000	2	113.7217	0.583	3	112.2791	2.062	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(OH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]O)(O){3|C<3>}	111.3670	0.406	2	111.3670	0.165	2	111.3670	0.165	2	112.2791	2.062	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:S-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[5](C[5]C[5,5]HH)(C[5]C[5]S)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]S)(O){1|C<4>,2|C<3>}	111.0100	0.000	1	111.0275	0.001	2	111.0275	0.001	2	112.2791	2.062	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:S-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[5](C[5]C[5,5]HH)(C[5]C[5]S)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]S)(O){1|C<4>,2|C<3>}	111.0450	0.000	1	111.0275	0.001	2	111.0275	0.001	2	112.2791	2.062	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(OSi)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)2(OSi){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCC){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:4:	3:2:3:	C[5]-3:C[5]-3:S-2:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a])	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3)	C[5](C[5]C[5]S)(O[5]C[5])(CCC)	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]){2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3){1|C<3>}	C[5](C[5]C[5]S)(O[5]C[5])(CCC){3|C<4>}	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(O){3|C<4>}	110.8530	0.000	1	110.8530	0.000	1	110.8530	0.000	1	111.0585	0.084	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(OS)	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(OS){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]H)(O){1|O<2>,2|C<4>}	111.2640	0.000	1	111.2640	0.000	1	111.2640	0.000	1	111.0585	0.084	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]O)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(O){1|C<3>,1|C<4>,1|H<1>}	113.4110	0.000	1	113.4110	0.000	1	111.6832	1.497	9	111.6832	1.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(O){1|C<3>,1|C<4>,1|H<1>}	113.0490	0.076	2	113.0490	0.006	2	111.6832	1.497	9	111.6832	1.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(OC[6])	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH)	C[5](C[5]C[5]N[6]C)(C[5]C[5]O)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC[6]){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH){1|C<4>,1|N<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N[6]C)(C[5]C[5]O)(O){1|C<3>,2|H<1>,3|C<4>}	111.8100	0.000	1	111.8100	0.000	1	111.6832	1.497	9	111.6832	1.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]O)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]O)(O){1|H<1>,2|C<4>}	111.1880	0.000	1	111.1880	0.000	1	111.6832	1.497	9	111.6832	1.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]O)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(O){1|H<1>,2|C<4>}	110.8120	0.000	1	110.8120	0.000	1	111.6832	1.497	9	111.6832	1.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(O){1|C<4>,2|H<1>}	110.4820	0.824	2	110.4820	0.680	2	111.6832	1.497	9	111.6832	1.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]O)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(O){1|C<4>,2|H<1>}	110.8660	0.000	1	110.8660	0.000	1	111.6832	1.497	9	111.6832	1.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:2:	4:3:4:	4:3:3:	C[5]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(OC[5,5])	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]C)2(OC[5,5]){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<4>,2|H<1>}	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]N[5]H)(C[5]O[5]O)(COO)	C[5](C[5]C[5]C)(N[5]O[5])(H)	C[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]N[5]H)(C[5]O[5]O)(COO)	C[5](C[5]C[5]C)(N[5]O[5])(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]N[5])(O){1|H<1>}	104.9120	0.000	1	104.9120	0.000	1	104.9120	0.000	1	106.3700	17.782	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5])(H)	C[5](C[5]C[5]2)(N[5]N[5])(H)	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|H<1>,2|N<2>}	C[5](C[5]C[5]2)(N[5]N[5])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]2)(N[5]N[5])(H){1|H<1>,2|C<3>}	105.3750	0.000	1	105.3750	0.000	1	105.3750	0.000	1	106.3700	17.782	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5]N[5]H)2(C[6]C[6]2)	C[5](C[5]C[5]C[6])(N[5]N[5])(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[5](C[5]C[5]C[6])(N[5]N[5])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]C[6])(N[5]N[5])(H){1|H<1>,2|C<3>}	103.5840	0.151	2	103.5840	0.023	2	103.5840	0.023	2	106.3700	17.782	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:N-3:	C[5]-3:S[5]-2:Cl-1:	C[5]-3:S[5]-2:S-1:	C[5](C[5]S[5]Cl)(C[5]S[5]S)(NCC)	C[5](C[5]C[5]N)(S[5]S[5])(Cl)	C[5](C[5]C[5]N)(S[5]S[5])(S)	C[5](C[5]S[5]Cl)(C[5]S[5]S)(NCC)	C[5](C[5]C[5]N)(S[5]S[5])(Cl){1|S<1>}	C[5](C[5]C[5]N)(S[5]S[5])(S){1|Cl<1>}	114.7440	0.000	1	114.7440	0.000	1	114.7440	0.000	1	106.3700	17.782	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-2:H-1:	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[5](C[5]C[5]C[6])(C[5]O[5])(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[5](C[5]C[5]C[6])(C[5]O[5])(H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]C[6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>}	106.0210	0.000	1	106.0210	0.000	1	106.0210	0.000	1	106.3700	17.782	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:1:	C-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>}	105.2140	0.000	1	105.2140	0.000	1	105.2140	0.000	1	106.3042	0.959	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-2:O-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO)	C[5](C[5]C[5]C)(C[5]N[5])(O)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO){1|C<2>}	C[5](C[5]C[5]C)(C[5]N[5])(O){1|C<2>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>}	107.4015	0.045	2	107.4015	0.002	2	107.4015	0.002	2	106.3042	0.959	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]O)	C[5](C[5]C[5]C)(N[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]O){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>}	105.1370	0.000	1	105.1370	0.000	1	105.1370	0.000	1	106.3042	0.959	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(NCH)	C[5](C[5]C[5]N)(O[5]C[5])(O)	C[5](C[5]C[5]N)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(NCH){1|C<3>}	C[5](C[5]C[5]N)(O[5]C[5])(O){1|C<3>,1|H<1>}	C[5](C[5]C[5]N)(C[5]O[5]C)(H){1|O<1>}	107.2790	0.000	1	107.2790	0.000	1	107.2790	0.000	1	106.3042	0.959	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){1|O<1>,2|C<3>}	105.9220	0.700	2	105.9220	0.490	2	106.0003	0.263	3	106.3042	0.959	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){1|O<1>,2|C<3>}	106.1570	0.000	1	106.1570	0.000	1	106.0003	0.263	3	106.3042	0.959	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:S-2:	C[5](CC[5a]C[6a])(C[5]C[5]S)(C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(SP)	C[5](CC[5a]C[6a])(C[5]C[5]S)(C[5]N[5]H){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(H){1|C<3>,1|S<2>}	C[5](C[5]C[5]C)(C[5]N[5]C)(SP){1|H<1>}	105.4340	0.000	1	105.4340	0.000	1	105.4340	0.000	1	105.4340	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC){1|O<1>}	105.2653	0.400	18	105.2653	0.160	18	105.2633	0.151	19	106.5377	23.473	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC){1|O<1>}	105.2270	0.000	1	105.2270	0.000	1	105.2633	0.151	19	106.5377	23.473	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:S[5]-2:O-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]S[5]O)(CC[5a]C)	C[5](C[5]C[5]C)(S[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]S[5]O)(CC[3]2)	C[5](C[5]C[5]C)(C[5]S[5]O)(CC[5a]C){1|O<1>}	C[5](C[5]C[5]C)(S[5]C[5])(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]S[5]O)(CC[3]2){1|O<1>}	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	106.5377	23.473	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5])(H)	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|H<1>,2|N<2>}	C[5](C[5]C[5]2)(N[5]N[5])(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|H<1>,2|N<2>}	127.3130	0.000	1	127.3130	0.000	1	127.3130	0.000	1	106.5377	23.473	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6,6]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	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[5](C[5]C[6,6]C[5])(O[5]C[5])(O)	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[5](C[5]C[6,6]C[5])(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5]C){1|O<1>,2|C<4>}	104.9520	0.000	1	104.9520	0.000	1	104.9520	0.000	1	106.5377	23.473	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(H){1|O<1>,2|C<3>}	106.4015	0.097	2	106.4015	0.009	2	106.4015	0.009	2	106.4015	0.009	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC){1|O<1>,2|C<3>}	105.5060	0.000	1	105.5060	0.000	1	105.8072	0.217	5	105.8072	0.217	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH){1|O<1>,2|C<3>}	106.1750	0.000	1	106.1750	0.000	1	105.8072	0.217	5	105.8072	0.217	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC){1|O<1>,2|C<3>}	105.1760	0.000	1	105.1760	0.000	1	105.8072	0.217	5	105.8072	0.217	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|Cl<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH){1|O<1>,2|C<3>}	106.2930	0.000	1	106.0895	0.083	2	105.8072	0.217	5	105.8072	0.217	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH){1|O<1>,2|C<3>}	105.8860	0.000	1	106.0895	0.083	2	105.8072	0.217	5	105.8072	0.217	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:4:3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NHN)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NHN){1|O<1>,2|C<3>}	106.9520	0.000	1	106.9520	0.000	1	106.9520	0.000	1	106.9520	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:4:4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH){1|O<1>,2|C<3>}	107.8670	0.000	1	107.8670	0.000	1	107.7930	0.011	2	107.7930	0.011	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	3:4:4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN){1|O<1>,2|C<3>}	107.7190	0.000	1	107.7190	0.000	1	107.7930	0.011	2	107.7930	0.011	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	107.4792	0.390	5	107.4792	0.152	5	107.6620	0.322	6	107.6622	0.529	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(COO)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(COO){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	108.5760	0.000	1	108.5760	0.000	1	107.6620	0.322	6	107.6622	0.529	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O[5])(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O[5])(C[5]C[5]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]O[5]CH)(C[5]C[5]2)(O){1|C<3>,1|O<1>,1|O<2>}	108.2900	0.508	2	108.2900	0.258	2	108.2900	0.258	2	107.6622	0.529	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H){1|O<1>,4|C<3>}	106.4080	0.000	1	106.4080	0.000	1	106.4080	0.000	1	107.6622	0.529	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	4:3:2:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]O[5]O)(CCC)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CC)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(C[5]O[5]O)(CCC){2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(OH){1|O<1>}	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:O-1:	P[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]O)(C[5]P[5]C)(COO)	C[5](C[5]C[5]C)(N[5]P[5])(O)	C[5](P[5]N[5]OO)(C[5]C[5]C)(COO)	C[5](C[5]N[5]O)(C[5]P[5]C)(COO){2|O<2>}	C[5](C[5]C[5]C)(N[5]P[5])(O){1|C<3>,2|O<2>}	C[5](P[5]N[5]OO)(C[5]C[5]C)(COO){1|O<1>}	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	113.8625	0.001	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:S-1:	P[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]S)(C[5]P[5]C)(COO)	C[5](C[5]C[5]C)(N[5]P[5])(S)	C[5](P[5]N[5]OO)(C[5]C[5]C)(COO)	C[5](C[5]N[5]S)(C[5]P[5]C)(COO){2|O<2>}	C[5](C[5]C[5]C)(N[5]P[5])(S){1|C<3>,2|O<2>}	C[5](P[5]N[5]OO)(C[5]C[5]C)(COO){1|S<1>}	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	113.8625	0.001	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:1:	4:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH){1|O<1>}	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:2:	3:3:1:	C-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:O-2:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]C)(N[5]C[5])(OC)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(OC){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|O<2>}	104.3380	0.000	1	104.3380	0.000	1	104.3380	0.000	1	104.3380	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:2:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(OC)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(OC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(O){1|O<2>,2|C<3>}	104.7460	0.000	1	104.7460	0.000	1	104.7460	0.000	1	104.7460	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:2:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]O)(CCC)	C[5](C[5]C[5]C)(O[5]C[5])(OC)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]O[5]O)(CCC){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(OC){1|O<1>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|O<2>}	104.7960	0.000	1	104.7960	0.000	1	104.7960	0.000	1	107.1298	6.755	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:2:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:S[5]-2:S-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]O)	C[5](C[5]C[5]C)(S[5]C[5])(SC)	C[5](C[5]S[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]O){2|H<1>}	C[5](C[5]C[5]C)(S[5]C[5])(SC){1|O<1>,2|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(O){1|S<2>}	112.2560	0.000	1	112.2560	0.000	1	112.2560	0.000	1	107.1298	6.755	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:2:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:N-2:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N)	C[5](C[5]C[6a]C[5])(O[5]C[5])(NO)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(NO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H){1|N<2>,4|C<3>}	106.4317	0.182	4	106.4317	0.033	4	106.4317	0.033	4	107.1298	6.755	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:2:2:	C[5]-3:C[5]-3:C-3:	C[5]-3:S[5]-2:C-3:	C[5]-3:S[5]-2:S-2:	C[5](C[5]S[5]C)(C[5]S[5]S)(CC[6a]O)	C[5](C[5]C[5]C)(S[5]S[5])(CCH)	C[5](C[5]C[5]C)(S[5]S[5])(SC)	C[5](C[5]S[5]C)(C[5]S[5]S)(CC[6a]O)	C[5](C[5]C[5]C)(S[5]S[5])(CCH){1|S<2>}	C[5](C[5]C[5]C)(S[5]S[5])(SC){1|C<3>}	118.3960	0.000	1	118.3960	0.000	1	118.3960	0.000	1	117.3643	0.801	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:2:2:	C[5]-3:C[5]-3:C-3:	C[5]-3:S[5]-2:N-3:	C[5]-3:S[5]-2:N-2:	C[5](C[5]S[5]N)2(CC[6a]O)	C[5](C[5]C[5]C)(S[5]S[5])(NC[6a]H)	C[5](C[5]C[5]C)(S[5]S[5])(NC[6a])	C[5](C[5]S[5]N)2(CC[6a]O)	C[5](C[5]C[5]C)(S[5]S[5])(NC[6a]H){1|N<2>}	C[5](C[5]C[5]C)(S[5]S[5])(NC[6a]){1|N<3>}	116.8485	0.073	2	116.8485	0.005	2	116.8485	0.005	2	117.3643	0.801	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:2:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[5]2)(C[5]N[5]N)2	C[5](C[5]C[5]2)(N[5]N[5])(NOO)	C[5](C[5]C[5]2)(N[5]N[5])(NOO)	C[5](C[5]C[5]2)(C[5]N[5]N)2{2|H<1>,2|N<3>}	C[5](C[5]C[5]2)(N[5]N[5])(NOO){1|N<3>,2|C<3>}	C[5](C[5]C[5]2)(N[5]N[5])(NOO){1|N<3>,2|C<3>}	98.8825	0.000	1	98.8825	0.000	1	98.8825	0.000	1	100.8960	0.871	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:2:3:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5]N[5]N)2(NC[5a]H)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	C[5](C[5]N[5]N)2(NC[5a]H)	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|N<3>}	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|N<3>}	100.3700	0.000	1	100.3700	0.000	1	101.1410	1.065	7	100.8960	0.871	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:2:3:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5]N[5]N)2(NHH)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	C[5](C[5]N[5]N)2(NHH)	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|N<3>}	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|N<3>}	99.9160	0.369	2	99.9160	0.136	2	101.1410	1.065	7	100.8960	0.871	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:2:3:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5]N[5]N)2(NOO)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	C[5](C[5]N[5]N)2(NOO)	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|N<3>}	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|N<3>}	101.9462	0.147	4	101.9462	0.021	4	101.1410	1.065	7	100.8960	0.871	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5a]C[5a]2)(C[5]N[5]N)2	C[5](C[5]C[5a]C[5])(N[5]N[5])(NOO)	C[5](C[5]C[5a]C[5])(N[5]N[5])(NOO)	C[5](C[5a]C[5a]2)(C[5]N[5]N)2{1|H<1>,1|N<2>,2|N<3>}	C[5](C[5]C[5a]C[5])(N[5]N[5])(NOO){1|N<3>,2|C<3>}	C[5](C[5]C[5a]C[5])(N[5]N[5])(NOO){1|N<3>,2|C<3>}	100.5770	0.000	1	100.5770	0.000	1	100.5770	0.000	1	100.8960	0.871	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:2:3:	N[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-2:N-3:	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO)	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO)	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2{1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO){1|C<3>,1|N<2>,1|N<3>}	100.8080	0.215	2	101.0194	0.071	5	101.0194	0.071	5	100.8960	0.871	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:2:3:	N[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-2:N-3:	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO)	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO)	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2{1|N<3>,2|C<3>}	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]N[5a]C[5])(N[5]N[5])(NOO){1|C<3>,1|N<2>,1|N<3>}	101.1603	0.209	3	101.0194	0.071	5	101.0194	0.071	5	100.8960	0.871	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]C)(CSS)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]C)(C[5]O[5]O)(O)	C[5](C[5]C[5]O)(C[5]O[5]C)(CSS){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH){2|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(O){1|C<3>}	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:2:	C[5]-3:C[5]-3:C-3:	C[5]-3:Se[5]-2:C-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5]Se[5]C)(C[5]C[5]N)(COO)	C[5](C[5]C[5]C)(Se[5]C[5])(CCH)	C[5](C[5]Se[5]N)(C[5]C[5]C)(NC)	C[5](C[5]Se[5]C)(C[5]C[5]N)(COO){1|N<2>}	C[5](C[5]C[5]C)(Se[5]C[5])(CCH){2|N<2>}	C[5](C[5]Se[5]N)(C[5]C[5]C)(NC){1|C<3>}	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	111.0930	41.843	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH){1|C<2>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CN){3|C<3>}	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	111.0930	41.843	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[5a]H)	C[5](C[5]C[5]C)(O[5]C[5])(CCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[5a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCC){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC){1|C<3>}	104.5030	0.000	1	104.5030	0.000	1	104.4122	1.286	6	104.7597	2.490	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]2)	C[5](C[5]C[5]C)(O[5]C[5])(CCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]2){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCC){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC){1|C<3>}	102.7770	0.000	1	102.7770	0.000	1	104.4122	1.286	6	104.7597	2.490	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]2)	C[5](C[5]C[5]C)(O[5]C[5])(CCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[3]2)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]2){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCC){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[3]2){1|C<3>}	105.0047	1.149	3	105.0047	1.321	3	104.4122	1.286	6	104.7597	2.490	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(CCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCC){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|C<3>}	104.1790	0.000	1	104.1790	0.000	1	104.4122	1.286	6	104.7597	2.490	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5]-3:C[5]-3:N[6]-3:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]N[5]C)(N[6]C[6]2)	C[5](C[5]C[5]N[6])(N[5]C[5])(COO)	C[5](C[5]C[5]N[6])(C[5]N[5]H)(NOO)	C[5](C[5]C[5]N)(C[5]N[5]C)(N[6]C[6]2){2|C<4>,5|H<1>}	C[5](C[5]C[5]N[6])(N[5]C[5])(COO){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]N[6])(C[5]N[5]H)(NOO){1|C<3>,2|C<4>}	103.7900	0.000	1	103.7900	0.000	1	103.7900	0.000	1	104.7597	2.490	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CC[6a]O){3|C<3>}	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	104.7597	2.490	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CHO)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CHO){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	106.5710	0.000	1	106.5710	0.000	1	106.5710	0.000	1	107.0740	0.506	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]C)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]C)(CCH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>}	107.5770	0.000	1	107.5770	0.000	1	107.5770	0.000	1	107.0740	0.506	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]N)(COO)	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]O[5]N)(COO){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]H){1|O<1>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|N<3>}	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	111.5177	15.775	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:3:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:S[5]-2:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]S[5]N)(CNO)	C[5](C[5]C[5]C)(S[5]C[5])(NCH)	C[5](C[5]S[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]S[5]N)(CNO){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(S[5]C[5])(NCH){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]S[5]CH)(C[5]C[5]C)(O){1|N<3>}	113.7975	0.603	2	113.7975	0.364	2	113.7975	0.364	2	111.5177	15.775	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:4:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[5a]H)	C[5](C[5]C[5]C)(N[5]O[5])(CH3)	C[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[5a]H)	C[5](C[5]C[5]C)(N[5]O[5])(CH3){1|O<1>}	C[5](C[5]C[5]C)(O[5]N[5])(O){1|C<4>}	104.0630	0.833	2	104.0630	0.694	2	103.6658	0.248	6	103.6658	0.248	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:4:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]O[5])(CH3)	C[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]O[5])(CH3){1|O<1>}	C[5](C[5]C[5]C)(O[5]N[5])(O){1|C<4>}	103.4673	0.156	4	103.4673	0.024	4	103.6658	0.248	6	103.6658	0.248	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[5]2)(C[5]N[5]C)2	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]2)(C[5]N[5]C)2{2|C<4>,2|N<2>}	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<4>,2|C<3>}	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<4>,2|C<3>}	105.2933	0.610	3	105.2933	0.372	3	105.2933	0.372	3	105.1773	0.302	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5a]C[5a]2)(C[5]N[5]C)2	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3)	C[5](C[5a]C[5a]2)(C[5]N[5]C)2{1|N<2>,1|N<3>,2|C<4>}	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3){1|C<4>,2|C<3>}	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3){1|C<4>,2|C<3>}	104.8290	0.000	1	104.8290	0.000	1	104.8290	0.000	1	105.1773	0.302	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5])(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(COO){1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<4>}	107.9675	0.252	2	107.9675	0.064	2	107.9675	0.064	2	106.1814	2.685	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN){1|C<4>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]N[5]C)(O){1|C<4>}	105.0720	0.054	2	105.0720	0.003	2	104.9907	0.021	3	106.1814	2.685	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO)	C[5](C[5]C[5]C)(N[5]N[5])(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO){1|C<4>}	C[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]N[5]C)(O){1|C<4>}	104.8280	0.000	1	104.8280	0.000	1	104.9907	0.021	3	106.1814	2.685	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]N[5]C)2	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]2)(C[5]N[5]C)2	C[5](C[5]C[5]2)(C[5]N[5]C)2{2|C<4>,2|N<2>}	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<4>,2|C<3>}	C[5](C[5]C[5]2)(C[5]N[5]C)2{2|C<4>,2|N<2>}	127.3762	0.249	5	127.3762	0.062	5	127.3762	0.062	5	127.3762	0.062	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:4:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO){1|C<3>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(O){1|C<4>,2|C<3>}	108.2660	0.000	1	108.2660	0.000	1	107.6830	0.680	2	107.6830	0.680	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:4:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]O[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(O){1|C<4>}	107.1000	0.000	1	107.1000	0.000	1	107.6830	0.680	2	107.6830	0.680	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:2:4:	4:3:2:	C[5]-3:C[5]-3:P-3:	C[5]-3:N[5]-2:C-4:	P[5]-4:C[5]-3:N-2:	C[5](C[5]N[5]C)(C[5]P[5]N)(PCC)	C[5](C[5]C[5]P)(N[5]P[5])(CHHP)	C[5](P[5]N[5]CC)(C[5]C[5]P)(NP)	C[5](C[5]N[5]C)(C[5]P[5]N)(PCC){2|C<4>}	C[5](C[5]C[5]P)(N[5]P[5])(CHHP){1|N<2>,2|C<4>}	C[5](P[5]N[5]CC)(C[5]C[5]P)(NP){1|C<4>}	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]C)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]C){1|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	104.1890	0.000	1	104.1890	0.000	1	105.1037	1.036	3	109.3511	16.553	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]H){1|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	104.9220	0.000	1	104.9220	0.000	1	105.1037	1.036	3	109.3511	16.553	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CHN)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CHN){1|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	106.2000	0.000	1	106.2000	0.000	1	105.1037	1.036	3	109.3511	16.553	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[5a]S[5])(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(S[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5a]S[5])(C[5]C[5]2)(H){1|O<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5]2)(S[5]C[5])(O){1|H<1>,3|C<3>}	111.4670	0.000	1	111.4670	0.000	1	112.5865	2.507	2	109.3511	16.553	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:O-1:	C[5](C[5]N[5]O[5])(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[5]2)(C[5]S[5]H)(H)	C[5](C[5]C[5]2)(S[5]C[5])(O)	C[5](C[5]N[5]O[5])(C[5]C[5]H)(C[5]S[5]O){2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(C[5]S[5]H)(H){1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]2)(S[5]C[5])(O){1|N<3>,1|O<2>,2|H<1>}	113.7060	0.000	1	113.7060	0.000	1	112.5865	2.507	2	109.3511	16.553	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:I-1:	C[5]-3:Se[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(C[5]C[5]I)	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(I)	C[5](C[5]C[6a]C[5])(Se[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(C[5]C[5]I){2|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(I){1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Se[5]C[5])(H){1|I<1>,3|C<3>}	112.4870	0.120	2	112.4870	0.014	2	112.4870	0.014	2	109.3511	16.553	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:O-1:	C[5]-3:S[5]-2:N-2:	C[5](C[5]C[5]O)(C[5]S[5]N)(COO)	C[5](C[5]C[5]S[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(S[5]C[5])(NC[6a])	C[5](C[5]C[5]O)(C[5]S[5]N)(COO){1|C<3>}	C[5](C[5]C[5]S[5])(C[5]C[5]C)(O){1|N<2>,1|N<3>,1|S<2>}	C[5](C[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<3>,1|O<1>}	112.3550	0.000	1	112.3550	0.000	1	112.3550	0.000	1	106.0709	7.995	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:N-2:	C[5](C[5]C[5]H)(C[5]N[5]N)(NCH)	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H)	C[5](C[5]C[5]N)(N[5]C[5])(NC)	C[5](C[5]C[5]H)(C[5]N[5]N)(NCH){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H){1|N<2>,2|C<3>}	C[5](C[5]C[5]N)(N[5]C[5])(NC){1|C<3>,1|H<1>}	105.9980	0.000	1	105.9980	0.000	1	105.9980	0.000	1	106.0709	7.995	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|Fe<10>,1|N<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a]){1|C<4>,1|H<1>,2|C<3>}	105.0760	0.000	1	105.0760	0.000	1	104.8286	0.190	5	106.0709	7.995	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|N<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a]){1|H<1>,3|C<3>}	104.7957	0.580	3	104.7668	0.228	4	104.8286	0.190	5	106.0709	7.995	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){2|N<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a]){1|H<1>,3|C<3>}	104.6800	0.000	1	104.7668	0.228	4	104.8286	0.190	5	106.0709	7.995	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:N-3:	C[5](C[5]N[5]N)(C[5]N[5]O)(CCC)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(NHH)	C[5](C[5]N[5]N)(C[5]N[5]O)(CCC){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(NHH){1|C<3>,1|O<1>}	103.0300	0.000	1	103.0300	0.000	1	103.0300	0.000	1	109.3225	79.191	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:Se[5]-2:C-3:	C[5](C[5]Se[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](N[5]Se[5]C[6])(C[5]C[5]N)(O)	C[5](C[5]C[5]N)(Se[5]N[5])(CC[6a]O)	C[5](C[5]Se[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>}	C[5](N[5]Se[5]C[6])(C[5]C[5]N)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]N)(Se[5]N[5])(CC[6a]O){1|C<4>,1|O<1>}	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	109.3225	79.191	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCC)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCC){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	104.3450	0.000	1	104.3450	0.000	1	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCH)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCH){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	103.9800	0.062	2	103.9800	0.004	2	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	104.9419	0.228	8	104.9419	0.052	8	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	104.8752	0.453	8	104.8752	0.205	8	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	103.2020	0.000	1	103.2020	0.000	1	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CHHO)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CHHO){1|C<3>,1|O<1>}	103.9960	0.000	1	103.9960	0.000	1	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	104.3715	0.687	2	104.3715	0.471	2	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]N)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]N){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	105.2183	0.320	6	105.2183	0.103	6	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]C){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	104.0330	0.000	1	104.0330	0.000	1	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	105.3177	0.330	42	105.3177	0.109	42	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]O){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	104.6968	0.653	4	104.6968	0.427	4	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CHN)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CHN){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	106.0047	0.398	6	106.0047	0.159	6	105.1254	0.341	82	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O)	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O){1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	106.8100	0.000	1	106.8100	0.000	1	106.4340	0.283	2	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O)	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	106.0580	0.000	1	106.0580	0.000	1	106.4340	0.283	2	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	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[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O)	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[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O){1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	105.0300	0.204	2	105.0300	0.041	2	105.1750	0.084	3	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	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[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O)	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[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O){1|C<4>,1|O<2>,3|C<3>}	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>}	105.4650	0.000	1	105.4650	0.000	1	105.1750	0.084	3	105.1572	0.365	87	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]C)(N[5]C[5]2)(O)	C[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]2)(O){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<3>,1|O<1>}	106.4410	0.000	1	106.4410	0.000	1	106.4410	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:B-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(BC[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H)	C[5](C[5]C[5,5]H)2(BC[6a]2){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]B)(H){1|H<1>,1|N<3>,2|C<4>}	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:B-3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(BC[6a]2)	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl)	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl)	C[5](C[5]C[5]Cl)2(BC[6a]2){2|C<3>}	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl){1|Cl<1>,1|C<3>}	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl){1|Cl<1>,1|C<3>}	105.1450	0.000	1	105.1450	0.000	1	105.1450	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(CSiH)	C[5](C[5,6]C[5a,6]N[5,6])(C[5]C[5]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(CSiH){1|C<3>,1|C<4>}	C[5](C[5,6]C[5a,6]N[5,6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O){1|C<3>,1|C<4>,3|H<1>}	105.3285	0.566	2	105.3285	0.321	2	105.3285	0.321	2	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.1450	0.000	1	108.1450	0.000	1	107.6389	1.564	21	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CCN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	108.3290	0.000	1	108.3290	0.000	1	107.6389	1.564	21	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CC[5a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CC[5a]C[6a]){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	106.6530	0.386	2	106.6530	0.149	2	107.6389	1.564	21	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CC[5a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.5746	0.404	5	107.5746	0.163	5	107.6389	1.564	21	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]C){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	106.5670	0.902	2	106.5670	0.814	2	107.6389	1.564	21	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.4471	1.308	7	107.4471	1.712	7	107.6389	1.564	21	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.0050	0.000	1	107.0050	0.000	1	107.6389	1.564	21	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CNO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	110.2475	0.370	2	110.2475	0.137	2	107.6389	1.564	21	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CCC)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CCC){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	104.7860	0.000	1	104.7860	0.000	1	106.1127	1.263	13	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CCC)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CCC){2|C<3>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	107.7485	0.839	2	107.7485	0.704	2	106.1127	1.263	13	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(CCH){1|H<1>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(H){2|H<1>}	107.5400	0.000	1	107.5400	0.000	1	106.1127	1.263	13	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CCN)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CCN){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	105.6330	0.000	1	105.6330	0.000	1	106.1127	1.263	13	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CCN)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CCN){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|H<1>}	106.5560	1.076	2	106.5560	1.158	2	106.1127	1.263	13	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC[6a]2)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CC[6a]2){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	105.1520	0.028	2	105.1520	0.001	2	106.1127	1.263	13	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC[6a]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CC[6a]H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	105.1850	0.000	1	105.1850	0.000	1	106.1127	1.263	13	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CHN)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CHN){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	106.0650	0.331	2	106.0650	0.110	2	106.1127	1.263	13	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CN[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CN[5]C){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	105.2780	0.000	1	105.2780	0.000	1	106.1127	1.263	13	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CCC)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CCC){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(O){1|O<1>,3|C<3>}	106.0830	0.000	1	106.0830	0.000	1	106.4403	0.679	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CCO)	C[5](C[5]C[5]C)(C[5]C[5]O)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(O)	C[5](C[5]C[5]O)2(CCO){2|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(O){1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(O){1|O<1>,1|O<2>}	106.6190	1.080	2	106.6190	1.167	2	106.4403	0.679	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(H)	C[5](N[5]N[5]Li)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(COO){1|Li<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(H){1|Li<4>,1|H<1>}	C[5](N[5]N[5]Li)(C[5]C[5]C)(H){2|H<1>}	104.3170	0.000	1	104.3170	0.000	1	104.3170	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)2(CHN)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5]C)(O)	C[5](C[5]N[5]O)2(CHN){2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]C)(O){1|C<3>,1|O<1>}	108.2660	0.000	1	108.2660	0.000	1	108.1262	0.148	6	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)2(CHN)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5]H)(O)	C[5](C[5]N[5]O)2(CHN){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]H)(O){1|C<3>,1|O<1>}	108.2220	0.370	4	108.2220	0.137	4	108.1262	0.148	6	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)2(CN[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]N[5]H)(O)	C[5](C[5]N[5]O)2(CN[6]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]H)(O){1|C<3>,1|O<1>}	107.6030	0.000	1	107.6030	0.000	1	108.1262	0.148	6	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.4550	0.000	1	108.4550	0.000	1	109.1460	0.955	2	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2){2|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	109.8370	0.000	1	109.8370	0.000	1	109.1460	0.955	2	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)2(C[5]N[5]2)	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl)	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl)	C[5](C[5]C[5]Cl)2(C[5]N[5]2){2|Cl<1>,4|C<3>}	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl){2|Cl<1>,2|N<3>}	C[5](C[5]C[5]Cl)(C[5]C[5]2)(Cl){2|Cl<1>,2|N<3>}	105.2897	0.561	3	105.2897	0.315	3	105.2897	0.315	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]C[5]H)2	C[5](C[5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	108.1912	0.676	6	108.1912	0.456	6	108.1912	0.456	6	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5]H)(H)	C[5](C[5]C[5]2)(N[5]N[5]H)(H)	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|H<1>,2|N<2>,2|N<3>}	C[5](C[5]C[5]2)(N[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(N[5]N[5]H)(H){2|C<3>,2|H<1>}	104.9080	0.000	1	105.2980	0.223	19	105.2980	0.223	19	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5]H)(H)	C[5](C[5]C[5]2)(N[5]N[5]H)(H)	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|N<3>,4|H<1>}	C[5](C[5]C[5]2)(N[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(N[5]N[5]H)(H){2|C<3>,2|H<1>}	105.3197	0.476	18	105.2980	0.223	19	105.2980	0.223	19	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:O-1:	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	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[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>}	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>}	105.9760	0.000	1	105.9760	0.000	1	107.8507	1.182	7	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	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[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>}	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>}	106.6770	0.000	1	108.1632	0.598	6	107.8507	1.182	7	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	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[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>}	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>}	108.4604	0.292	5	108.1632	0.598	6	107.8507	1.182	7	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	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[5](C[5]C[5]C[6])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	106.5410	0.130	2	106.5410	0.017	2	106.5410	0.017	2	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(C[6]C[6]2)	C[5](C[5]C[5]C[6])(N[5]N[5]H)(H)	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[5](C[5]C[5]C[6])(N[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C[6])(N[5]N[5]Co)(H){2|C<3>,2|H<1>}	104.6517	0.088	3	104.6517	0.008	3	104.6517	0.008	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|N<1>,1|O<1>,4|C<3>}	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	108.6870	0.000	1	108.6870	0.000	1	108.1807	0.243	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	107.9275	0.319	2	107.9275	0.102	2	108.1807	0.243	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(NOO)	C[5](C[5]C[5]N)(N[5]N[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]N)(H)	C[5](C[5]N[5]H)2(NOO){1|Ru<6>,1|H<1>}	C[5](C[5]C[5]N)(N[5]N[5]H)(H){1|Ru<6>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]N)(H){2|H<1>}	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(NOO)	C[5](N[5]N[5]Fe)(C[5]C[5]N)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]N)(H)	C[5](C[5]N[5]H)2(NOO){2|Fe<6>}	C[5](N[5]N[5]Fe)(C[5]C[5]N)(H){1|Fe<6>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]N)(H){1|Fe<6>,1|H<1>}	106.2202	0.520	6	106.2202	0.271	6	106.2202	0.271	6	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]C){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	107.4810	0.000	1	107.4810	0.000	1	108.0087	0.350	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H)	C[5](N[5]C[5]C[6])(C[5]C[5]N)(O)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]N)(O){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	108.2725	0.531	2	108.2725	0.282	2	108.0087	0.350	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]S)(NC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(S)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]S)(NC[6a]H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(S){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<3>,1|S<1>}	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6])(O)	C[5](C[5]C[5,6a]O)2(N[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6])(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6])(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N[6]-3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(N[6]C[6]2)	C[5](C[5]C[5]N[6])(N[5]C[5]C)(O)	C[5](C[5]C[5]N[6])(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(N[6]C[6]2){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]C[5]N[6])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]N[6])(C[5]N[5]O)(H){1|O<1>,3|C<4>}	106.7680	0.000	1	106.7680	0.000	1	106.7680	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N[6]-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(N[6]C[6]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]N[6])(O)	C[5](C[5]C[5]N[6])(C[5]N[5]O)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(N[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N[6])(O){2|O<1>,4|C<3>}	C[5](C[5]C[5]N[6])(C[5]N[5]O)(O){1|O<1>,3|C<3>}	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(PC[6a]2)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H)	C[5](C[5]C[5,5]H)2(PC[6a]2){2|P<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:S-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(SCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5](C[5]C[5,6a]O)2(SCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	111.4203	0.023	3	111.4203	0.001	3	111.4203	0.001	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Br)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Br){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|Br<1>,1|O<1>,2|C<3>}	104.5420	0.000	1	104.5420	0.000	1	104.5420	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]2)(C[5]C[5]H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]H)2{1|N<3>,2|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	107.5570	0.000	1	108.3755	1.340	2	108.9342	0.597	5	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]2)(C[5]C[5]H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	109.1940	0.000	1	108.3755	1.340	2	108.9342	0.597	5	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,1|S<2>,2|C<3>}	109.3510	0.000	1	109.3510	0.000	1	108.9342	0.597	5	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)2{4|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	109.2845	0.060	2	109.2845	0.004	2	108.9342	0.597	5	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5](C[5]C[5a]C[5])(N[5]N[5]C)(H)	C[5](C[5]C[5a]C[5])(N[5]N[5]Co)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|Co<6>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(N[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(N[5]N[5]Co)(H){1|C<4>,1|H<1>,2|C<3>}	104.2060	0.000	1	104.2060	0.000	1	104.3380	0.013	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H)	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	104.4040	0.006	2	104.4040	0.000	2	104.3380	0.013	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6,6]C[5])(O)	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[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>}	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>}	106.0800	0.383	2	106.0800	0.147	2	106.0800	0.147	2	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]O)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	108.5080	0.378	2	108.5080	0.143	2	108.5080	0.143	2	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	108.2735	0.509	4	108.2735	0.259	4	107.6464	0.398	32	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	106.9400	0.000	1	106.9400	0.000	1	107.6464	0.398	32	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,5|C<3>}	107.8396	0.254	21	107.8396	0.065	21	107.6464	0.398	32	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	106.7747	0.659	4	106.6700	0.340	6	107.6464	0.398	32	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	106.4605	0.514	2	106.6700	0.340	6	107.6464	0.398	32	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	107.7090	0.082	2	107.7090	0.007	2	107.5620	0.068	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	107.2680	0.000	1	107.2680	0.000	1	107.5620	0.068	3	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:P[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]P[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(H)	C[5](C[5]C[6a]C[5])(P[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]P[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(P[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(H){1|O<1>,3|C<3>}	105.9990	0.000	1	105.9990	0.000	1	105.9990	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H){1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O){1|H<1>,3|C<3>}	106.0750	0.000	1	106.0750	0.000	1	106.0750	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[5](C[5]C[6a]C[5])(N[5]C[6]N[5])(H)	C[5](C[5]C[6a]C[5])(N[5]N[5]Ru)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|Ru<8>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6]N[5])(H){1|Ru<8>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Ru)(H){1|H<1>,3|C<3>}	104.5760	0.000	1	104.5760	0.000	1	104.5817	0.757	4	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	104.2955	1.331	2	104.2955	1.773	2	104.5817	0.757	4	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(H)	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	105.1600	0.000	1	105.1600	0.000	1	104.5817	0.757	4	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|O<1>,3|C<3>}	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.1011	2.770	169	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O)	C[5](C[5]C[5]N)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O){1|C<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N)(C[5]N[5]O)(CN){1|C<3>,1|O<1>}	106.3130	0.000	1	106.3130	0.000	1	106.3130	0.000	1	106.5433	1.194	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:S-2:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(SC)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<2>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(SC){1|O<1>,5|C<3>}	107.7330	0.000	1	107.7330	0.000	1	107.7330	0.000	1	106.5433	1.194	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]N[5]C)(H)	C[5](C[5]C[6a]C[5])(N[5]N[5]Mo)(OMo)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]O){1|Mo<6>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]C)(H){1|Mo<6>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Mo)(OMo){1|H<1>,3|C<3>}	105.5840	0.000	1	105.5840	0.000	1	105.5840	0.000	1	106.5433	1.194	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CCC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CCO)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CCC){2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CCO){2|C<4>,3|H<1>}	106.0980	0.000	1	106.0980	0.000	1	106.0980	0.000	1	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	108.0380	0.024	2	108.0380	0.001	2	108.0380	0.001	2	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CBrC)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CBrC){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|H<1>}	105.8560	0.000	1	105.8560	0.000	1	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCC)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCC)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCC){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCC){2|H<1>}	106.1935	0.026	2	106.1935	0.001	2	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CBrC)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CBrC){2|H<1>}	105.3020	0.000	1	105.3020	0.000	1	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|H<1>}	106.5346	0.460	18	106.5346	0.212	18	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]N)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|H<1>,1|N<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|N<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CCH){2|H<1>}	107.0210	0.000	1	107.0210	0.000	1	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCH){2|H<1>}	106.0770	0.208	2	106.0770	0.043	2	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]Pt)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|Pt<4>,1|C<3>}	C[5](C[5]C[5]Pt)(C[5]C[5]C)(H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|Pt<4>,1|H<1>}	107.4870	0.000	1	107.4870	0.000	1	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	106.6848	0.112	4	106.6317	0.117	10	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	106.5400	0.891	2	106.6317	0.117	10	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	106.6245	0.253	4	106.6317	0.117	10	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	106.4078	0.461	8	106.4078	0.212	8	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<2>,1|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<2>,3|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	107.1727	0.296	3	107.1522	0.036	6	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	107.1317	0.014	3	107.1522	0.036	6	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N){2|H<1>}	106.0337	0.207	3	106.0337	0.043	3	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO){2|H<1>}	106.0410	0.243	3	106.0410	0.059	3	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N){2|H<1>}	105.8480	0.597	2	105.8480	0.356	2	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO){2|H<1>}	106.1480	0.000	1	106.1480	0.000	1	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){2|H<1>}	106.1012	0.126	6	106.1012	0.016	6	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O){2|H<1>}	105.9070	0.000	1	105.9070	0.000	1	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN){2|H<1>}	106.3203	0.469	26	106.3203	0.220	26	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N){2|H<1>}	106.3670	0.000	1	106.3670	0.000	1	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){1|C<3>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|H<1>,1|O<2>}	109.2440	0.000	1	109.2440	0.000	1	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|O<2>,3|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	108.5410	0.000	1	108.5410	0.000	1	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|O<2>,3|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	108.1785	0.262	4	108.1785	0.069	4	106.5263	0.474	99	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:I-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(I)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|C<2>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(I){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CCH){1|H<1>,1|I<1>}	105.8660	0.000	1	105.8660	0.000	1	105.8660	0.000	1	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]H)(C[5]N[5]N)(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(H)	C[5](C[5]C[5]C)(N[5]N[5]H)(NHH)	C[5](C[5]N[5]H)(C[5]N[5]N)(COO){2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]C)(N[5]N[5]H)(NHH){2|H<1>}	105.0600	0.000	1	105.0600	0.000	1	105.0600	0.000	1	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]N[5]O)(CCH)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC)	C[5](C[5]C[5]N)(C[5]N[5]O)(CCH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC){1|C<3>,1|O<1>}	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]C[5]H)2	C[5](C[5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)2	C[5](C[5]C[5]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	126.2260	0.292	4	126.2260	0.085	4	126.2260	0.085	4	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5]H)(H)	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|N<3>,4|H<1>}	C[5](C[5]C[5]2)(N[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|N<3>,4|H<1>}	127.3266	0.335	15	127.3266	0.112	15	127.3266	0.112	15	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O)	C[5](C[5]C[5]N)(C[5]N[5]O)(CCH)	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5]N)(C[5]N[5]O)(CCH){1|C<3>,1|O<1>}	108.7610	0.000	1	108.7610	0.000	1	108.7610	0.000	1	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	125.6510	0.000	1	125.6510	0.000	1	125.6510	0.000	1	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:P-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:P-3:	C[5](C[5]C[5]P)(C[5]N[5]O)(PC[6a]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O)	C[5](C[5]C[5]P)(C[5]N[5]O)(PC[6a]2)	C[5](C[5]C[5]P)(C[5]N[5]O)(PC[6a]2){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O){1|O<1>,1|P<3>,2|C<3>}	C[5](C[5]C[5]P)(C[5]N[5]O)(PC[6a]2){1|C<3>,1|O<1>}	108.2795	0.190	2	108.2795	0.036	2	108.2795	0.036	2	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])2(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	C[5](C[5]C[6a]C[5])2(CCH){1|H<1>,5|C<3>}	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CCC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CCC){1|O<1>,3|C<3>}	109.1140	0.000	1	109.1140	0.000	1	109.1140	0.000	1	109.7667	55.192	130	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]H)(C[5]C[5]P)(CCC)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(PC[6a]3)	C[5](C[5]C[5]H)(C[5]C[5]P)(CCC){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(PC[6a]3){2|H<1>}	106.0395	0.207	2	106.0395	0.043	2	106.0395	0.043	2	109.4242	6.892	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,2|H<1>}	111.1737	0.066	3	111.1737	0.004	3	111.1737	0.004	3	109.4242	6.892	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:S-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(SPtC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(SPtC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){2|C<3>,2|H<1>}	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	109.4242	6.892	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(O){2|C<3>,2|H<1>}	105.6750	0.000	1	105.6750	0.000	1	105.6750	0.000	1	107.9306	0.783	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6]O)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]N[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6]O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(H){1|H<1>,1|O<1>}	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	107.9306	0.783	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CCN)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCN){1|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	108.4450	0.000	1	108.4450	0.000	1	107.8566	0.154	5	107.9306	0.783	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO){1|H<1>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	107.9040	0.000	1	107.9040	0.000	1	107.8566	0.154	5	107.9306	0.783	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O){1|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	107.6447	0.256	3	107.6447	0.066	3	107.8566	0.154	5	107.9306	0.783	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(O){1|C<3>,1|O<1>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	107.9306	0.783	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(C[5]S[5]2)	C[5](C[5]C[5]2)(N[5]C[5]C)(O)	C[5](C[5]N[5]CH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(C[5]S[5]2){1|H<1>,4|C<4>}	C[5](C[5]C[5]2)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|S<2>}	C[5](C[5]N[5]CH)(C[5]C[5]2)(O){1|C<4>,1|O<1>,2|S<2>}	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	107.9306	0.783	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O)	C[5](C[5]N[5]CC)(C[5]C[5]N)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H){1|C<4>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5]CC)(C[5]C[5]N)(H){1|C<3>,1|O<1>}	108.6740	0.185	2	108.6740	0.034	2	108.6740	0.034	2	107.9306	0.783	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[5]-3:C-3:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO){1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]C)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]C){3|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN){2|H<1>}	106.9640	0.472	3	106.9640	0.223	3	106.9640	0.223	3	106.9640	0.223	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:1:	4:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCO)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCO){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|H<1>,1|O<1>}	108.1890	0.000	1	108.1890	0.000	1	108.1890	0.000	1	108.1890	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5])	C[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CCH){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	104.7830	0.000	1	104.7830	0.000	1	103.7826	0.298	12	103.7826	0.298	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5])	C[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CCO){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	104.1030	0.000	1	104.1030	0.000	1	103.7826	0.298	12	103.7826	0.298	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5])	C[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	103.5254	0.273	9	103.5254	0.075	9	103.7826	0.298	12	103.7826	0.298	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CHN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5])	C[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CHN){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	104.7760	0.000	1	104.7760	0.000	1	103.7826	0.298	12	103.7826	0.298	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:2:3:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[5]N[5])(C[5]N[5]N)(NOO)	C[5](C[5]C[5]N[5])(C[5]C[5]N)(N[5]N[5])	C[5](C[5]C[5]N)(N[5]N[5])(NOO)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(NOO){1|C<3>,1|N<2>}	C[5](C[5]C[5]N[5])(C[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<2>,2|N<3>}	C[5](C[5]C[5]N)(N[5]N[5])(NOO){1|C<3>}	104.1230	0.000	1	104.1230	0.000	1	104.1230	0.000	1	104.1230	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C-3:C[5]-3:	N[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H)	C[5](N[5a]C[5a,5a]C[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H){3|C<3>}	C[5](N[5a]C[5a,5a]C[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H){1|C<3>,1|N<2>,1|N<3>}	102.4085	0.199	2	102.4085	0.039	2	103.0383	0.759	4	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C-3:C[5]-3:	N[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H)	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H){1|H<1>,2|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]H)(H){1|N<3>}	103.0980	0.000	1	103.0980	0.000	1	103.0383	0.759	4	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C-3:C[5]-3:	N[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5a]N[5])(CC[6a]C[5])(C[5]C[5]H)	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5a]N[5])(CC[6a]C[5])(C[5]C[5]H){1|H<1>,2|C<3>}	C[5](N[5a]C[5a]2)(C[5]C[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]H)(H){1|N<3>}	104.2380	0.000	1	104.2380	0.000	1	103.0383	0.759	4	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(ORu)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CCO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(ORu){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	100.5300	0.000	1	100.5300	0.000	1	107.5812	12.243	6	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CNO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	108.3420	0.000	1	108.3420	0.000	1	107.5812	12.243	6	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(ORu)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CNO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(ORu){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	109.1538	0.585	4	109.1538	0.342	4	107.5812	12.243	6	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CN){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<2>,1|O<1>}	105.6782	0.346	6	105.6782	0.120	6	105.6782	0.120	6	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)	C[5](C[5]C[5]C)(C[5]N[5]C)(OH)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(OH){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<2>}	105.0330	0.074	2	105.0330	0.005	2	105.0330	0.005	2	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){3|C<3>}	101.5360	0.000	1	101.5360	0.000	1	101.5360	0.000	1	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(OH)	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[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>}	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>}	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:O-2:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,5|C<3>}	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	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](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|C<2>,1|H<1>,4|C<3>}	106.6100	0.000	1	106.6100	0.000	1	106.6100	0.000	1	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<2>,4|C<3>}	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:N-3:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(NOO)	C[5](CC[5a]C[6a])(C[5]C[5]N)(N[5]C[5])	C[5](C[5]C[5]N)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(NOO){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]N)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]N)(C[5]N[5]C)(H){1|C<3>}	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(NCS)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(NCS){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H){3|C<3>}	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(H){3|C<3>}	106.7620	0.000	1	106.7620	0.000	1	106.7620	0.000	1	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C-3:N[5]-2:	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[5](C[5]C[5]C[6])(CC[5a]Pd)(N[5]C[5])	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[5](C[5]C[5]C[6])(CC[5a]Pd)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]C[6])(C[5]N[5]C)(H){1|N<3>,2|C<3>}	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<2>,3|C<3>}	107.3050	0.579	3	107.3050	0.335	3	107.3050	0.335	3	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	105.7315	1.193	2	105.7315	1.423	2	105.7315	1.423	2	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|N<2>,2|C<3>}	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	106.1709	5.189	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]N)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]C)(C[5]O[5]O)(NN)	C[5](C[5]C[6a]O[5])(C[5]C[5]N)(CC[6a]O){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(NN){1|C<3>}	106.6280	0.000	1	106.6280	0.000	1	106.6280	0.000	1	106.8336	1.878	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|O<2>,4|C<3>}	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	106.8336	1.878	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[5]-3:C-2:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CN)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(NCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a]){1|C<2>,1|H<1>,2|C<3>}	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>}	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	106.8336	1.878	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)2(NHH)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(NHH){2|C<2>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){2|C<2>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){2|C<2>}	107.7180	0.000	1	107.0862	0.110	6	107.0862	0.110	6	106.8336	1.878	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)2(NHH)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(NHH){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){1|C<2>,1|C<3>}	106.9598	0.133	5	107.0862	0.110	6	107.0862	0.110	6	106.8336	1.878	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:N-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]N[5]N)(NC[6]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6])	C[5](C[5]C[5]N)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(C[5]N[5]N)(NC[6]H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6]){1|C<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N)(C[5]N[5]O)(CN){1|C<3>,1|N<2>}	108.1865	0.175	2	108.1865	0.031	2	108.1865	0.031	2	106.8336	1.878	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(NN)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(NN){5|C<3>}	102.7100	0.000	1	102.7100	0.000	1	102.7100	0.000	1	106.8336	1.878	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[5]C[6a]C[5])2(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){1|C<2>,3|C<3>}	C[5](C[5]C[6a]C[5])2(CN){1|C<2>,5|C<3>}	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	106.8336	1.878	13	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C-3:	C-3:C[5]-3:N[5]-2:	C-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(COO)	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]N[5]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(COO){1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]N[5]H){1|C<3>}	105.5620	0.000	1	105.5620	0.000	1	105.5620	0.000	1	106.1932	0.578	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCC){1|C<2>,1|N<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<2>,1|N<3>}	105.8480	0.000	1	105.8480	0.000	1	106.4402	0.316	15	106.1932	0.578	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<2>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<2>,1|H<1>}	106.5225	0.530	2	106.5225	0.281	2	106.4402	0.316	15	106.1932	0.578	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[5]C)2(CCH){1|C<2>,1|N<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CCC){1|C<2>,1|N<3>}	107.2580	0.000	1	107.2580	0.000	1	106.4402	0.316	15	106.1932	0.578	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(CC[6a]C)	C[5](C[5]C[5]C)2(CCH){1|C<2>,1|N<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CC[6a]C){1|C<2>,1|N<3>}	107.0715	0.111	4	107.0715	0.012	4	106.4402	0.316	15	106.1932	0.578	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<2>,1|C<3>}	105.8767	0.262	3	105.8767	0.069	3	106.4402	0.316	15	106.1932	0.578	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CC[6a]C)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CC[6a]C){1|C<2>,1|N<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<2>,1|N<3>}	106.1340	0.067	4	106.1340	0.005	4	106.4402	0.316	15	106.1932	0.578	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|H<1>,1|O<2>}	106.1430	0.000	1	106.1430	0.000	1	106.1430	0.000	1	106.1932	0.578	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(NCH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(NCH){3|C<3>}	104.4680	0.000	1	104.4680	0.000	1	104.4680	0.000	1	106.1932	0.578	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5])	C[5](C[5]C[5a]C[5])(CC[6a]C[5])(C[5]N[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C){1|H<1>,1|N<3>,5|C<3>}	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[5](C[5]C[5a]C[5])(CC[6a]C[5])(C[5]N[5]H){1|N<3>,2|C<3>}	104.8940	0.000	1	104.8940	0.000	1	104.8940	0.000	1	106.1932	0.578	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]C)(C[5]O[5]O)(PC[6a]3)	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CCH){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(PC[6a]3){1|C<3>}	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	107.8510	0.330	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(ONi)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC){1|C<3>,1|C<4>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(ONi){2|C<3>,2|C<4>}	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	107.9455	0.300	8	107.9455	0.090	8	108.0037	0.109	9	107.8510	0.330	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(NSnC)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OSn)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(NSnC){1|C<3>,1|C<4>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OSn){2|C<3>,2|C<4>}	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	108.4690	0.000	1	108.4690	0.000	1	108.0037	0.109	9	107.8510	0.330	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O)	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O){5|C<3>}	106.8300	0.000	2	106.8300	0.000	2	106.8300	0.000	2	106.8300	0.000	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(CC[6a]O){1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(CCH){3|C<3>}	107.6090	0.000	1	107.6090	0.000	1	107.7353	0.123	3	107.7353	0.123	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(CHH)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(CHH){3|C<3>}	107.4660	0.000	1	107.4660	0.000	1	107.7353	0.123	3	107.7353	0.123	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CHH)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CHH){3|C<3>}	108.1310	0.000	1	108.1310	0.000	1	107.7353	0.123	3	107.7353	0.123	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:2:	4:3:4:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:O[5]-2:	N[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]O[5])(C[5]N[5]C)(NOO)	C[5](C[5]C[5]2)(C[5]C[5]N)(O[5]N[5])	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3)	C[5](C[5]C[5]O[5])(C[5]N[5]C)(NOO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]N)(O[5]N[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3){1|C<3>}	106.6550	0.000	1	106.6550	0.000	1	106.6550	0.000	1	106.6550	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-2:H-1:	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]N[5]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5])(H)	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]N[5]H){1|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(COO){1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5])(H){2|C<3>}	105.0300	0.000	1	105.0300	0.000	1	105.0300	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5a]C[5])(CC[6a]C[5])(C[5]N[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]C[5])(H)	C[5](C[5]C[5a]C[5])(CC[6a]C[5])(C[5]N[5]H){1|N<3>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C){1|H<1>,1|N<3>,5|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(H){2|C<3>}	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[5a]H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC){1|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[5a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	105.6260	0.000	1	105.6260	0.000	1	105.6021	0.345	31	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]2)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC){1|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]2){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	105.2030	0.000	1	105.2030	0.000	1	105.6021	0.345	31	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5a]C){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	105.4897	0.365	18	105.4897	0.133	18	105.6021	0.345	31	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	104.3670	0.000	1	104.3670	0.000	1	105.6021	0.345	31	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[3]2)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]2)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[3]2){1|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]2){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	106.1463	0.872	3	106.1463	0.760	3	105.6021	0.345	31	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	105.6300	0.000	1	105.6300	0.000	1	105.6021	0.345	31	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]C){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	104.4200	0.000	1	104.4200	0.000	1	105.6021	0.345	31	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	105.9680	0.000	1	105.9680	0.000	1	105.6021	0.345	31	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	106.2620	0.000	1	106.2620	0.000	1	105.6021	0.345	31	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]C)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]C){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	106.0580	0.000	1	106.0580	0.000	1	105.6021	0.345	31	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	106.4390	0.426	2	106.4390	0.181	2	105.6021	0.345	31	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:S[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]S[5]O)(CC[3]2)	C[5](C[5]C[5]C)(C[5]S[5]O)(CC[5a]C)	C[5](C[5]C[5]C)(S[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]S[5]O)(CC[3]2){1|O<1>}	C[5](C[5]C[5]C)(C[5]S[5]O)(CC[5a]C){1|O<1>}	C[5](C[5]C[5]C)(S[5]C[5])(O){1|C<3>,1|O<1>}	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]O[5]O)(CC[5a]C)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	105.1380	0.000	1	105.1380	0.000	1	105.1380	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:O[5]-2:O-1:	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)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	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[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	105.6550	0.000	1	105.6550	0.000	1	105.6550	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[6,6]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	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)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5]C){1|O<1>,2|C<4>}	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[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	105.7500	0.000	1	105.7500	0.000	1	104.9727	0.455	3	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[6,6]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	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)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	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[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	104.5840	0.068	2	104.5840	0.005	2	104.9727	0.455	3	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	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)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CCC){1|C<3>,1|C<4>,1|O<1>}	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[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	105.6510	0.000	1	105.6510	0.000	1	105.6510	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CC[6a]O){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	107.7340	0.000	1	107.7340	0.000	1	107.7340	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]2)(C[5]O[5]C)(CC[6a]2)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2)(C[5]O[5]C)(CC[6a]2){1|O<1>,2|C<4>}	C[5](C[5]C[5]2)(O[5]C[5])(O){2|C<3>,2|C<4>}	106.9090	0.000	1	106.9090	0.000	1	106.4310	0.457	2	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]2)(C[5]O[5]O)(CC[5a]C)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2)(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>}	105.9530	0.000	1	105.9530	0.000	1	106.4310	0.457	2	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[5]2)(S[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]2)(S[5]C[5])(O){1|H<1>,3|C<3>}	120.5640	0.000	1	120.5640	0.000	1	120.5640	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]O[5]O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]O[5]O){1|O<1>,1|S<2>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O){1|C<2>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<2>,1|C<3>,1|O<1>,1|S<2>}	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C-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[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[5a]C)	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[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	C[5](C[5]C[5]C[6])(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>}	105.0990	0.000	1	105.0990	0.000	1	105.0990	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:N[6]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5]N[6])(C[5]N[5]H)(NOO)	C[5](C[5]C[5]N)(C[5]N[5]C)(N[6]C[6]2)	C[5](C[5]C[5]N)(N[5]C[5])(H)	C[5](C[5]C[5]N[6])(C[5]N[5]H)(NOO){1|C<3>,2|C<4>}	C[5](C[5]C[5]N)(C[5]N[5]C)(N[6]C[6]2){2|C<4>,5|H<1>}	C[5](C[5]C[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|C<3>,1|H<1>,2|N<3>}	128.2258	1.040	5	128.2258	1.082	5	128.2258	1.082	5	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5])(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2){1|N<3>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(H){1|N<3>,3|C<3>}	103.4045	1.520	2	103.4045	2.309	2	103.4045	2.309	2	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[6]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[6]C[6]2)	C[5](C[5]C[6a]C[5])(N[5]C[5])(H)	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[6]C[6]2){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(H){1|N<3>,3|C<3>}	104.9720	0.000	1	104.9720	0.000	1	104.9720	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<1>,3|C<3>}	107.3683	0.530	4	107.3683	0.281	4	107.3683	0.281	4	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Co<6>,1|C<3>,2|N<3>}	127.0180	0.000	1	125.0260	7.936	2	127.0065	3.337	8	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H){1|Co<6>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Co)(C[5]S[5]H){1|Co<6>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Co<6>,1|N<3>,2|C<3>}	123.0340	0.000	1	125.0260	7.936	2	127.0065	3.337	8	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Cu<4>,1|C<3>,2|N<3>}	129.6540	0.000	1	129.6540	0.000	1	127.0065	3.337	8	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Fe)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Fe)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Fe)(C[5]S[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Fe)(C[5]S[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	127.3558	0.160	4	127.3558	0.026	4	127.0065	3.337	8	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]S[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]S[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|Ni<6>,1|C<3>,2|N<3>}	126.9230	0.000	1	126.9230	0.000	1	127.0065	3.337	8	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]O[5]O)	C[5](C[5]C[5a]C[5])(O[5]C[5])(O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O){1|C<2>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]O[5]O){1|O<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5a]C[5])(O[5]C[5])(O){1|O<1>,1|S<2>,2|C<3>}	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O)	C[5](C[5]C[5a]C[5])(O[5]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(O[5]C[5])(O){1|O<1>,3|C<3>}	107.0415	0.179	2	107.0415	0.032	2	107.0415	0.032	2	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6,6]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-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[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5a]C)	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[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	C[5](C[5]C[6,6]C[5])(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>}	105.2725	0.015	2	105.2725	0.000	2	105.2725	0.000	2	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-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[5](C[5]C[5]C[6])(C[5]O[5]O)(CCC)	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[5](C[5]C[5]C[6])(C[5]O[5]O)(CCC){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]C[6])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	105.6800	0.000	1	105.6800	0.000	1	105.6800	0.000	1	109.9750	72.073	73	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:N-2:	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(NCH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5]C[5]N)(N[5]C[5])(NC)	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(NCH){3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5]N)(N[5]C[5])(NC){2|C<3>}	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5]2)(C[5]O[5]C)(CC[6a]2)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCC)	C[5](C[5]C[5]2)(C[5]O[5]C)(CC[6a]2){1|O<1>,2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]O[5]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCC){1|C<3>,1|O<1>}	104.9980	0.000	1	104.9980	0.000	1	104.9980	0.000	1	105.9793	0.288	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5])(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(CCH){4|C<3>}	105.7370	0.188	2	105.7370	0.035	2	106.1997	0.198	7	105.9793	0.288	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5])(CNO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(CNO){4|C<3>}	106.8480	0.000	1	106.8480	0.000	1	106.1997	0.198	7	105.9793	0.288	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5])(COO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(COO){4|C<3>}	106.5680	0.000	1	106.5680	0.000	1	106.1997	0.198	7	105.9793	0.288	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(N[5]C[5])(CC[6a]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(CC[6a]C){1|N<3>,3|C<3>}	106.1693	0.286	3	106.1693	0.082	3	106.1997	0.198	7	105.9793	0.288	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5])(NHH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(NHH){4|C<3>}	105.7920	0.380	3	105.7920	0.144	3	105.7920	0.144	3	105.9793	0.288	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	B[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](B[5]O[5]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]B[5]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]B[5]C[5])(C[5]C[5]H)(H)	C[5](B[5]O[5]2)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]B[5]C[5])(C[5]C[5]C)(CCH){2|H<1>,2|O<2>}	C[5](C[5]B[5]C[5])(C[5]C[5]H)(H){2|C<3>,2|O<2>}	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	107.6947	0.382	4	107.6947	0.146	4	107.6947	0.146	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:O-1:	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(O)	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)2(O){2|C<3>}	107.4265	0.088	2	107.4265	0.008	2	107.4265	0.008	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[4a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[4a]C[4a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(CCC)	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(H)	C[5](C[4a]C[4a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,2|C<3>,2|O<1>}	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(H){4|C<3>}	106.5430	0.000	1	106.5430	0.000	1	106.5430	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	122.1570	0.562	4	122.1570	0.316	4	122.0845	0.220	6	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O){1|S<2>,3|C<3>}	121.9395	0.302	2	121.9395	0.091	2	122.0845	0.220	6	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H){4|C<3>}	125.1160	0.000	1	125.1160	0.000	1	126.1910	2.311	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(H){1|N<2>,5|C<3>}	127.2660	0.000	1	127.2660	0.000	1	126.1910	2.311	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	123.0835	0.114	2	123.0218	0.573	5	123.0218	0.573	5	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	123.5530	0.549	2	123.0218	0.573	5	123.0218	0.573	5	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	121.8360	0.000	1	123.0218	0.573	5	123.0218	0.573	5	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H){4|C<3>}	107.3495	0.155	2	107.3495	0.024	2	108.0634	0.516	8	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)(H){4|C<3>}	108.0280	0.000	1	108.0280	0.000	1	108.0634	0.516	8	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCO){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	107.4700	0.000	1	107.4700	0.000	1	108.0634	0.516	8	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCO)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCO){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	108.0450	0.007	2	108.0450	0.000	2	108.0634	0.516	8	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CC[6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	108.9980	0.000	1	108.9980	0.000	1	108.0634	0.516	8	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(COO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCO){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	109.2220	0.000	1	109.2220	0.000	1	108.0634	0.516	8	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	108.0042	0.607	5	108.0042	0.369	5	107.4596	0.522	17	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	107.3149	0.623	11	107.3149	0.388	11	107.4596	0.522	17	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	106.3280	0.000	1	106.3280	0.000	1	107.4596	0.522	17	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CNO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	108.8220	0.000	1	108.8220	0.000	1	108.7853	0.316	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	108.7780	0.000	1	108.7780	0.000	1	108.7853	0.316	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	109.4580	0.000	1	109.4580	0.000	1	108.7853	0.316	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	108.0830	0.000	1	108.0830	0.000	1	108.7853	0.316	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCC){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	108.7910	0.000	1	108.7910	0.000	1	108.8323	0.102	6	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	108.6650	0.000	1	108.8406	0.127	5	108.8323	0.102	6	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	108.8845	0.395	4	108.8406	0.127	5	108.8323	0.102	6	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(Br)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH){1|Br<1>,1|H<1>}	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH){1|Br<1>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(Br){1|Br<1>,1|C<3>}	105.3833	0.910	4	105.3833	0.828	4	105.5101	0.532	7	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]P)(Br)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH){1|Br<1>,1|P<4>}	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH){1|Br<1>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(Br){1|Br<1>,1|C<3>}	105.8855	0.549	2	105.8855	0.302	2	105.5101	0.532	7	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]P)(Br)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH){1|H<1>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|Br<1>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(Br){1|C<3>,1|H<1>}	105.2670	0.000	1	105.2670	0.000	1	105.5101	0.532	7	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(CCH){1|Cl<1>,1|B<3>}	C[5](C[5]C[5]Cl)(C[5]C[5]C)(CCH){1|Cl<1>,1|B<3>}	C[5](C[5]C[5]B)(C[5]C[5]C)(Cl){1|Cl<1>,1|C<3>}	105.6865	0.056	2	105.6865	0.003	2	106.3192	0.582	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(Cl)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(COO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|Cl<1>,1|C<3>}	C[5](C[5]C[5]C)2(Cl){2|C<3>}	106.9520	0.375	2	106.9520	0.140	2	106.3192	0.582	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]B[5]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|B<3>,1|H<1>}	C[5](C[5]B[5]C[5])(C[5]C[5]C)(CCH){2|H<1>,2|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|B<3>,1|C<3>}	106.5540	0.000	1	106.5540	0.000	1	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]2)(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	106.1055	0.022	2	106.1055	0.000	2	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]P)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|Br<1>,1|P<4>}	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH){1|H<1>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(H){1|Br<1>,1|C<3>}	107.0330	0.000	1	107.0330	0.000	1	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	106.5140	0.577	11	106.5140	0.333	11	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<2>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<2>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	106.7464	0.250	7	106.5938	0.097	13	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	106.2690	0.203	4	106.5938	0.097	13	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	106.7090	0.225	2	106.5938	0.097	13	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	106.6580	0.000	1	106.6580	0.000	1	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	106.9980	0.000	1	106.9980	0.000	1	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	108.2578	0.280	4	108.2578	0.078	4	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]2)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]2){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	107.8160	1.235	2	107.8160	1.524	2	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	106.4230	0.051	2	106.4230	0.003	2	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H){2|C<3>}	C[5](C[5]C[5]C)2(COO){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	106.3445	0.069	2	106.3445	0.005	2	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	105.9459	0.338	8	105.9459	0.114	8	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO)	C[5](C[5]C[5]C)(C[5]C[5]P)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO){1|H<1>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO){1|H<1>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(H){1|C<3>,1|H<1>}	107.8330	0.130	2	107.8330	0.017	2	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CN[6]S)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CN[6]S){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	108.6620	0.000	1	108.6620	0.000	1	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)(C[5]C[5]S)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(C[5]C[5]S)(H){1|C<3>,1|H<1>}	107.4960	0.693	2	107.4960	0.480	2	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	108.5352	0.209	10	108.5352	0.044	10	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)2(CCO)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCO){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|C<4>}	107.4120	0.000	1	107.4120	0.000	1	107.0418	0.967	64	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(I)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|H<1>,1|I<1>}	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|H<1>,1|I<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(I){1|C<3>,1|I<1>}	105.7925	0.425	2	105.7925	0.181	2	106.2567	0.351	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	C[5](C[5]C[5]C)2(I)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|C<2>,1|I<1>}	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|C<2>,1|I<1>}	C[5](C[5]C[5]C)2(I){1|C<3>,1|I<1>}	106.7210	0.107	2	106.7210	0.012	2	106.2567	0.351	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[5a]C)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[5a]C){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	105.7740	0.000	1	105.7740	0.000	1	105.8083	0.008	3	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[5a]C)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[5a]C){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	105.7430	0.000	1	105.7430	0.000	1	105.8083	0.008	3	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]N)(CC[6a]O)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|N<3>}	C[5](C[5]C[5]C)(C[5]N[5]N)(CC[6a]O){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>}	105.9080	0.000	1	105.9080	0.000	1	105.8083	0.008	3	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(COO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(COO){4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5]C)2(O){2|C<3>}	108.5927	0.171	4	108.5927	0.029	4	108.5927	0.029	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:N-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(C[5]N[5]N)(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(NHH)	C[5](N[5]N[5]Cu)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(COO){1|Cu<6>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(NHH){1|Cu<6>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]C)(H){1|H<1>,1|N<3>}	105.1333	0.325	3	105.1333	0.105	3	105.1333	0.105	3	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	105.6607	0.220	3	105.6607	0.048	3	105.8614	0.096	22	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[3]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[3]H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	106.0730	0.000	1	106.0730	0.000	1	105.8614	0.096	22	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6]H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	105.7600	0.000	1	105.7600	0.000	1	105.8614	0.096	22	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	105.8694	0.288	14	105.8694	0.083	14	105.8614	0.096	22	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	105.5450	0.000	1	105.5450	0.000	1	105.8614	0.096	22	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]N){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	106.2095	0.573	2	106.2095	0.329	2	105.8614	0.096	22	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(COO){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CCC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CCC){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|O<1>,3|C<3>}	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,5|C<3>}	108.3755	0.076	2	108.3755	0.006	2	108.3755	0.006	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[5a]S[5])(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]H)(C[5]S[5]O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5a]S[5])(C[5]C[5]2)(H){1|O<1>,1|S<2>,3|C<3>}	127.9690	0.000	1	127.9690	0.000	1	127.9690	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-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[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)	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[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>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C[6])(O){1|C<4>,1|O<1>,4|C<3>}	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:N-3:	N[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]N)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5a]N)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2){1|H<1>,1|O<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O){1|N<3>,5|C<3>}	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	108.6903	0.475	3	108.6903	0.226	3	108.6257	0.167	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	108.4320	0.000	1	108.4320	0.000	1	108.6257	0.167	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:I-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){1|H<1>,1|I<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){1|H<1>,5|C<3>}	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<1>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	111.7930	0.000	1	112.0065	0.091	2	112.0065	0.091	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	112.2200	0.000	1	112.0065	0.091	2	112.0065	0.091	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	107.8817	0.216	4	108.0224	0.134	5	108.0224	0.134	5	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){6|C<3>}	108.5850	0.000	1	108.0224	0.134	5	108.0224	0.134	5	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(O){1|N<3>,4|C<3>}	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	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])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	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>}	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	108.1000	0.000	1	108.1000	0.000	1	108.1000	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2)	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](N[5,6]C[5,6]B[6])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2){1|B<4>,2|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>}	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]C[5])(O){1|N<3>,2|F<1>,4|C<3>}	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(NC[6a]H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,3|C<3>}	109.3810	0.436	2	109.3810	0.190	2	109.3810	0.190	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]O)(NC[5]Pt)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]O)(NC[5]Pt){1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N){1|Pt<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,3|C<3>}	108.9820	0.288	2	108.9820	0.083	2	108.9820	0.083	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(NHS)	C[5](C[5]C[5]C)(C[5]C[5]N)(CCH)	C[5](C[5]C[5]H)(C[5]C[5]N)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(NHS){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CCH){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]N)(H){2|C<3>}	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(NCH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O)	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	108.4862	0.369	4	108.4862	0.136	4	108.4862	0.136	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(NC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O)	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(NOO)	C[5](N[5]N[5]Co)(C[5]C[5]N)(COO)	C[5](N[5]N[5]Co)(C[5]C[5]N)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(NOO){2|Co<6>}	C[5](N[5]N[5]Co)(C[5]C[5]N)(COO){1|Co<6>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]N)(H){1|Co<6>,1|C<3>}	105.7210	0.000	1	105.7210	0.000	1	105.6655	0.006	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(NOO)	C[5](N[5]N[5]Cu)(C[5]C[5]N)(COO)	C[5](N[5]N[5]Cu)(C[5]C[5]N)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(NOO){2|Cu<5>}	C[5](N[5]N[5]Cu)(C[5]C[5]N)(COO){1|Cu<5>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]N)(H){1|Cu<5>,1|C<3>}	105.6100	0.000	1	105.6100	0.000	1	105.6655	0.006	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	125.7655	0.426	8	125.7655	0.182	8	125.7655	0.182	8	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	131.1120	1.062	2	131.1617	0.389	4	131.1617	0.389	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	131.0890	0.000	1	131.1617	0.389	4	131.1617	0.389	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	131.3340	0.000	1	131.1617	0.389	4	131.1617	0.389	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|C<4>,1|N<3>,3|C<3>}	132.8970	0.000	1	132.8970	0.000	1	132.8970	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:O-1:	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])	C[5](C[5]C[6a]C[5])2(O)	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>}	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[5](C[5]C[6a]C[5])2(O){6|C<3>}	106.8585	0.387	2	106.8585	0.150	2	106.8585	0.150	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:O-1:	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)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	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>}	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[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	107.8790	0.000	1	107.8790	0.000	1	107.0271	0.479	15	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	106.9663	0.675	14	106.9663	0.456	14	107.0271	0.479	15	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])2(O){6|C<3>}	106.4395	0.247	6	106.4395	0.061	6	106.4395	0.061	6	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	108.2610	0.197	2	108.2610	0.039	2	108.1207	0.078	3	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|P<4>,5|C<3>}	107.8400	0.000	1	107.8400	0.000	1	108.1207	0.078	3	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(O){1|C<4>,5|C<3>}	106.6260	0.000	1	106.6260	0.000	1	108.7750	4.595	3	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(O){1|O<1>,3|C<3>}	109.8495	1.504	2	109.8495	2.262	2	108.7750	4.595	3	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){4|C<3>}	107.9090	0.000	1	107.9090	0.000	1	107.8094	0.339	20	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|N<2>,3|C<3>}	107.6240	0.000	1	107.6240	0.000	1	107.8094	0.339	20	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	107.6701	0.415	10	107.6701	0.172	10	107.8094	0.339	20	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	107.7405	0.669	6	107.7405	0.447	6	107.8094	0.339	20	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]N)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]N)(O){1|O<1>,3|C<3>}	108.7555	0.777	2	108.7555	0.604	2	107.8094	0.339	20	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2{1|N<3>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	108.0850	0.000	1	108.0850	0.000	1	108.0850	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	135.6410	0.000	1	135.6410	0.000	1	136.3740	1.404	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>}	135.5920	0.000	1	135.5920	0.000	1	136.3740	1.404	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	136.1530	0.000	1	136.1530	0.000	1	136.3740	1.404	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Ru<6>,1|C<3>,1|N<3>}	138.1100	0.000	1	138.1100	0.000	1	136.3740	1.404	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H){4|C<3>}	107.6530	0.000	1	107.6530	0.000	1	107.7842	0.047	6	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|O<2>,3|C<3>}	107.6370	0.000	1	107.6370	0.000	1	107.7842	0.047	6	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5a]C[5])2(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5a]C[5])2(H){2|S<2>,4|C<3>}	107.8830	0.127	2	107.8538	0.059	4	107.7842	0.047	6	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5a]C[5])2(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|O<2>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5a]C[5])2(H){2|S<2>,4|C<3>}	107.8245	0.395	2	107.8538	0.059	4	107.7842	0.047	6	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(NCH)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	106.8760	0.173	4	106.8760	0.030	4	106.8760	0.030	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	107.2390	0.000	1	107.2390	0.000	1	107.2390	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	107.8910	0.486	2	107.7705	0.130	4	107.7524	0.910	18	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	107.6500	0.307	2	107.7705	0.130	4	107.7524	0.910	18	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	108.0803	1.517	6	108.0803	2.302	6	107.7524	0.910	18	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|P<4>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|P<4>,3|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	107.4868	0.516	4	107.4868	0.266	4	107.7524	0.910	18	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|O<1>,1|S<2>,2|C<3>}	107.5083	0.731	4	107.5083	0.534	4	107.7524	0.910	18	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){4|C<3>}	106.2730	0.000	1	106.2730	0.000	1	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	107.4543	0.204	4	107.4543	0.042	4	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	108.0570	0.000	1	108.0570	0.000	1	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	107.4400	0.000	1	107.4400	0.000	1	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	108.6610	0.000	1	108.5317	0.020	3	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	108.4670	0.119	2	108.5317	0.020	3	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	108.4500	0.000	1	108.4500	0.000	1	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,5|C<3>}	107.3657	0.086	3	107.3657	0.007	3	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[3]H)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[3]H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,5|C<3>}	107.3600	0.000	1	107.3600	0.000	1	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6]H)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6]H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,5|C<3>}	106.9830	0.000	1	106.9830	0.000	1	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,5|C<3>}	107.1256	0.189	14	107.1256	0.036	14	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]N)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]N){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,5|C<3>}	106.7685	0.098	2	106.7685	0.010	2	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(CCC)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(CCC){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	106.8375	0.343	2	106.8375	0.118	2	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|O<2>,3|C<3>}	107.4390	0.000	1	107.8257	0.115	4	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H){1|I<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|O<2>,3|C<3>}	107.9547	0.270	3	107.8257	0.115	4	107.3775	0.301	38	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(COO)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(COO){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H){8|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C){1|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	109.2155	0.889	2	109.2155	0.790	2	109.2155	0.790	2	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	106.6280	0.000	1	106.6280	0.000	1	106.6280	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|H<1>,3|C<3>}	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	107.8852	0.086	4	107.8852	0.007	4	107.8852	0.007	4	109.1174	34.705	347	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:B[5]-3:	C[5]-3:C[5]-3:B[5]-3:	C[5]-3:B[5]-3:Se[5]-2:	C[5](C[5]Se[5]B[5])(C[5]B[5]C[5])(B[5]O[5]2)	C[5](C[5]Se[5]B[5])(C[5]B[5]C[5])(B[5]O[5]2)	C[5](C[5]B[5]C[5])(B[5]O[5]2)(Se[5]C[5])	C[5](C[5]Se[5]B[5])(C[5]B[5]C[5])(B[5]O[5]2){1|B<3>,2|C<4>,4|O<2>}	C[5](C[5]Se[5]B[5])(C[5]B[5]C[5])(B[5]O[5]2){1|B<3>,2|C<4>,4|O<2>}	C[5](C[5]B[5]C[5])(B[5]O[5]2)(Se[5]C[5]){2|B<3>,2|C<4>,2|O<2>}	114.8860	0.362	2	114.8860	0.131	2	114.8860	0.131	2	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NC[6a])	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(COO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NC[6a]){4|C<3>}	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NS)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NS){1|H<1>,3|C<3>}	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)2(CCH){1|H<1>,1|I<1>}	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|C<2>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC){1|C<3>,1|I<1>}	107.0580	0.000	1	107.0580	0.000	1	106.4210	0.812	2	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[5]C[5]C)2(CCH){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|C<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){4|C<3>}	105.7840	0.000	1	105.7840	0.000	1	106.4210	0.812	2	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]C)(C[5]C[5]N)(COO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(NC)	C[5](C[5]C[5]C)(C[5]C[5]N)(COO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|N<2>}	C[5](C[5]C[5]C)2(NC){2|C<3>}	107.0150	0.000	1	107.0150	0.000	1	107.0150	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){1|C<3>,1|H<1>}	105.2140	0.000	1	105.2140	0.000	1	105.2140	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]C)(C[5]C[5]S)(COO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(SH)	C[5](C[5]C[5]C)(C[5]C[5]S)(COO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|S<2>}	C[5](C[5]C[5]C)2(SH){2|C<3>}	107.8493	0.502	6	107.8493	0.252	6	107.8493	0.252	6	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]C){1|C<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{1|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){1|C<2>,3|C<3>}	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a])	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]){1|H<1>,5|C<3>}	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|H<1>,6|C<3>}	114.7250	0.021	2	114.7250	0.000	2	114.7250	0.000	2	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]N)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a])	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]N)(NC[6a]H){1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a]){1|H<1>,3|C<3>}	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2){1|N<3>,3|H<1>,5|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,5|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,5|C<3>}	109.4930	0.642	2	109.4930	0.412	2	109.4930	0.412	2	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:N[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[6]C[6]2)	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[6]C[6]2){3|H<1>,6|C<3>}	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,5|C<3>}	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,5|C<3>}	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:N[5]-2:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5]){1|C<4>,3|C<3>}	106.6615	1.341	2	106.0217	1.399	4	106.0217	1.399	4	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:N[5]-2:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5]){4|C<3>}	105.3820	0.873	2	106.0217	1.399	4	106.0217	1.399	4	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){4|C<3>}	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:N-2:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(NH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(NH){1|O<1>,3|C<3>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]C)	C[5](C[5]C[6a]C[5])2(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{1|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]C){1|C<2>,3|C<3>}	C[5](C[5]C[6a]C[5])2(CN){1|C<2>,5|C<3>}	106.9890	0.000	1	106.9890	0.000	1	106.9890	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCC)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCC){1|C<2>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CN){1|H<1>,3|C<3>}	106.8450	0.000	1	106.8450	0.000	1	106.8450	0.000	1	108.5708	7.899	30	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C){8|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C){8|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)(CCH){4|C<3>}	122.9970	0.000	1	122.9970	0.000	1	122.9970	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	B[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]B[5]C[5])(C[5]C[5]C)(CCH)	C[5](B[5]O[5]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]B[5]C[5])(C[5]C[5]C)(CCH){2|H<1>,2|O<2>}	C[5](B[5]O[5]2)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|B<3>,1|H<1>}	107.7190	0.000	1	107.7190	0.000	1	107.7190	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	106.9965	0.535	4	106.9965	0.286	4	107.0472	0.863	12	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|O<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|O<1>}	108.2100	1.263	2	108.2100	1.595	2	107.0472	0.863	12	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](CC[5a]C[6a])(C[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|Pd<4>,1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]Pd)(C[5]C[5]C){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|Pd<4>,1|C<3>}	107.0285	0.074	2	107.0285	0.006	2	107.0472	0.863	12	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](CC[5a]C[6a])(C[5]C[5]Pt)(C[5]C[5]C)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|Pt<4>,1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]Pt)(C[5]C[5]C){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|Pt<4>,1|C<3>}	106.3475	1.756	2	106.3475	3.083	2	107.0472	0.863	12	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](CC[5a]C[6a])(C[5]C[5]Ru)(C[5]C[5]C)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|Ru<6>,1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]Ru)(C[5]C[5]C){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|Ru<6>,1|C<3>}	106.7040	0.140	2	106.7040	0.020	2	107.0472	0.863	12	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[4a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(CCC)	C[5](C[4a]C[4a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[4a]C[4a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,2|C<3>,2|O<1>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	105.7770	0.000	1	105.7770	0.000	1	105.7770	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:C[5]-3:C-3:	C[5](C[5]C[5,5a]C)2(CCH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO)	C[5](C[5]C[5,5a]C)2(CCH){1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO){3|C<3>}	107.4560	0.092	2	107.4560	0.008	2	107.6467	0.113	3	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:C[5]-3:C-3:	C[5](C[5]C[5,5a]C)2(CCH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(CCH)	C[5](C[5]C[5,5a]C)2(CCH){1|C<3>,1|S<2>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH){1|S<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(CCH){3|C<3>}	108.0280	0.000	1	108.0280	0.000	1	107.6467	0.113	3	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)2(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5](C[5]C[5,6a]C)2(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,3|C<3>}	105.3540	0.000	1	105.3540	0.000	1	105.6270	0.149	2	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)2(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5](C[5]C[5,6a]C)2(CC[6a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,3|C<3>}	105.9000	0.000	1	105.9000	0.000	1	105.6270	0.149	2	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)(CCH){4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C){8|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){4|C<3>}	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]Pt)(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)2(CCH){1|Pt<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|Pt<4>,1|C<3>}	C[5](C[5]C[5]Pt)(C[5]C[5]C)(CHN){1|C<3>,1|H<1>}	105.1840	0.000	1	105.1840	0.000	1	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	106.7703	0.096	4	106.7703	0.009	4	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]2)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]2){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	106.6885	0.310	2	106.6885	0.096	2	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	107.5680	0.107	2	107.5680	0.012	2	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CN[6]S)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CN[6]S){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	106.6500	0.000	1	106.6500	0.000	1	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]C)2(CCH){1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){1|C<3>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH){1|C<3>,1|H<1>}	105.7430	0.000	1	105.7430	0.000	1	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	106.6098	0.151	9	106.6098	0.023	9	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]N)(COO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|N<2>}	C[5](C[5]C[5]C)(C[5]C[5]N)(COO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|N<2>}	107.3630	0.000	1	107.4213	0.334	3	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]N)(COO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|N<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(COO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|N<3>}	107.4505	0.814	2	107.4213	0.334	3	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]S)(COO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|S<2>}	C[5](C[5]C[5]C)(C[5]C[5]S)(COO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|S<2>}	107.4140	0.424	6	107.4140	0.179	6	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CHO)	C[5](C[5]C[5]C)2(CCH){2|C<3>}	C[5](C[5]C[5]C)2(CCH){2|C<3>}	C[5](C[5]C[5]C)2(CHO){2|C<3>}	107.0020	0.000	1	107.0020	0.000	1	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(CCH){2|C<3>}	C[5](C[5]C[5]C)2(CCH){2|C<3>}	C[5](C[5]C[5]C)2(COO){2|C<3>}	106.9460	0.000	1	106.9460	0.000	1	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|Cl<1>,1|C<3>}	C[5](C[5]C[5]Cl)(C[5]C[5]C)(COO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|Cl<1>,1|C<3>}	107.8220	0.307	2	107.8220	0.094	2	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|Ni<4>,1|C<3>}	C[5](C[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|Ni<4>,1|C<3>}	106.6500	0.219	4	106.6500	0.048	4	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]Pd)(C[5]C[5]C)(CN[6]S)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|Pd<4>,1|C<3>}	C[5](C[5]C[5]Pd)(C[5]C[5]C)(CN[6]S){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|Pd<4>,1|C<3>}	106.7055	0.450	2	106.7055	0.203	2	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]Rh)(C[5]C[5]C)(CC[5a]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|Rh<5>,1|C<3>}	C[5](C[5]C[5]Rh)(C[5]C[5]C)(CC[5a]H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|Rh<5>,1|C<3>}	107.0135	0.289	2	107.0135	0.084	2	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){2|C<3>}	106.2690	0.000	1	106.2690	0.000	1	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){2|C<3>}	106.6240	0.325	4	106.6240	0.106	4	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5]C)2(COO){2|C<3>}	106.3840	0.140	2	106.3840	0.020	2	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|C<3>}	106.5493	0.078	3	106.5493	0.006	3	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){4|C<3>}	C[5](C[5]C[5]C)2(CCH){2|C<3>}	107.3805	0.098	2	107.3805	0.010	2	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CC[5]H)	C[5](C[5]C[5]C)2(CHO)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(CC[5]H){2|C<3>}	C[5](C[5]C[5]C)2(CHO){2|C<3>}	C[5](C[5]C[5]C)2(COO){2|C<3>}	109.0400	0.000	1	109.0400	0.000	1	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CHO)	C[5](C[5]C[5]C)2(CC[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CHO){2|C<3>}	C[5](C[5]C[5]C)2(CC[5]H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){2|C<3>}	108.6280	0.000	1	108.6280	0.000	1	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CNO)	C[5](C[5]C[5]C)2(CNO)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(CNO){2|C<3>}	C[5](C[5]C[5]C)2(CNO){2|C<3>}	C[5](C[5]C[5]C)2(COO){2|C<3>}	107.0840	0.240	2	107.0840	0.058	2	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(COO){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H){2|C<3>}	C[5](C[5]C[5]C)2(COO){1|C<3>,1|H<1>}	108.5610	0.045	2	108.5610	0.002	2	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(CC[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(COO){2|C<3>}	C[5](C[5]C[5]C)2(CC[5]H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){2|C<3>}	108.3790	0.000	1	108.3790	0.000	1	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(CNO)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(COO){2|C<3>}	C[5](C[5]C[5]C)2(CNO){2|C<3>}	C[5](C[5]C[5]C)2(COO){2|C<3>}	108.0220	0.506	2	108.0220	0.256	2	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(COO){2|C<3>}	C[5](C[5]C[5]C)2(COO){2|C<3>}	C[5](C[5]C[5]C)2(COO){2|C<3>}	108.0772	0.681	21	108.0772	0.463	21	107.3010	0.715	83	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]C)(C[5]C[5]N)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(NHS)	C[5](C[5]C[5]C)(C[5]C[5]N)(CCH){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|H<1>,1|N<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(NHS){1|C<3>,1|H<1>}	105.7740	0.000	1	105.7740	0.000	1	107.4347	2.194	3	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]C)(C[5]C[5]N)(COO)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(NHH)	C[5](C[5]C[5]C)(C[5]C[5]N)(COO){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|N<3>}	C[5](C[5]C[5]C)2(NHH){2|C<3>}	108.2650	0.502	2	108.2650	0.252	2	107.4347	2.194	3	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:N-3:	C[5](C[5]C[5]C)(C[5]N[5]N)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(NCH)	C[5](C[5]C[5]C)(C[5]N[5]N)(CC[6a]O){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|N<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(NCH){1|C<3>,1|O<1>}	106.0880	0.000	1	106.0880	0.000	1	106.0880	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]2)(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]2)(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C){1|H<1>,7|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|C<3>}	107.6920	0.369	2	107.6920	0.136	2	107.6920	0.136	2	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|C<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5]C)2(CCH){2|C<3>}	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(CCC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(CCC){6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	107.0510	0.000	1	107.0510	0.000	1	106.6067	0.097	6	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(CCH){6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	106.5182	0.288	4	106.5182	0.083	4	106.6067	0.097	6	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(CC[6a]H){6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	106.5160	0.000	1	106.5160	0.000	1	106.6067	0.097	6	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(CCC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(CCC){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	105.8010	0.231	2	105.8010	0.053	2	105.8010	0.053	2	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	106.5890	0.000	1	106.5890	0.000	1	106.7023	0.107	6	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	106.8770	0.000	1	106.8770	0.000	1	106.7023	0.107	6	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	106.7470	0.236	2	106.6870	0.163	4	106.7023	0.107	6	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|O<2>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	106.6270	0.648	2	106.6870	0.163	4	106.7023	0.107	6	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	107.1530	0.000	1	107.1530	0.000	1	107.1837	0.618	19	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	106.8558	0.164	4	106.8558	0.027	4	107.1837	0.618	19	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	106.8680	0.000	1	106.8835	0.024	4	107.1837	0.618	19	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H){1|I<1>,4|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	106.8887	0.190	3	106.8835	0.024	4	107.1837	0.618	19	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|C<4>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2{1|I<1>,4|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|C<4>}	106.7860	0.330	2	106.7860	0.109	2	107.1837	0.618	19	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)2(COO){1|C<3>,1|H<1>}	105.5490	0.000	1	105.5490	0.000	1	107.1837	0.618	19	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	106.6800	0.000	1	106.6800	0.000	1	107.1837	0.618	19	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	108.2290	0.000	1	108.1853	0.009	3	107.1837	0.618	19	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	108.1635	0.127	2	108.1853	0.009	3	107.1837	0.618	19	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN){1|H<1>,3|C<3>}	106.9220	0.000	1	106.9220	0.000	1	107.1837	0.618	19	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|H<1>,4|C<3>}	C[5](C[5]C[5]C)2(CCH){2|C<3>}	108.5505	0.054	2	108.5505	0.003	2	107.1837	0.618	19	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])2(CCH){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{3|C<3>,3|H<1>}	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]N)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	C[5](C[5]C[5,6a]N)2(C[5]C[5]2){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|H<1>,1|N<3>,4|C<3>}	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5])2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5])2{9|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2){1|O<2>,2|H<1>,7|C<3>}	106.1940	0.000	1	106.1940	0.000	1	106.1940	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[5]2)(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C){1|H<1>,7|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H){8|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	107.1480	0.836	2	107.1480	0.699	2	107.1480	0.699	2	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6]-3:	C[5]-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[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]N[6])	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[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[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>}	109.8315	0.081	2	109.8315	0.007	2	109.8315	0.007	2	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	111.3820	0.783	2	111.3567	0.179	6	111.1390	0.261	12	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	111.3440	0.306	4	111.3567	0.179	6	111.1390	0.261	12	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	110.9213	0.530	6	110.9213	0.281	6	111.1390	0.261	12	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,6|C<3>}	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:B[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]B[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(B[5]O[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl)	C[5](C[5]C[5,6a]B[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(B[5]O[5]2){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl){1|B<3>,1|H<1>,4|C<3>}	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCC)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCC){1|H<1>,5|C<3>}	109.8570	0.000	1	109.8570	0.000	1	109.3838	0.158	9	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	109.7280	0.083	2	109.7280	0.007	2	109.3838	0.158	9	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,5|C<3>}	109.7290	0.000	1	109.7290	0.000	1	109.3838	0.158	9	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	109.0920	0.330	3	109.0960	0.073	4	109.3838	0.158	9	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	109.1080	0.000	1	109.0960	0.073	4	109.3838	0.158	9	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S){1|H<1>,5|C<3>}	109.0280	0.000	1	109.0280	0.000	1	109.3838	0.158	9	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	107.9990	0.592	5	107.9990	0.351	5	107.9990	0.351	5	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:B[5]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]N)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]N){2|H<1>,6|C<3>}	111.4360	0.031	2	111.4360	0.001	2	111.5337	0.080	8	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:B[5]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<3>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<3>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt){2|H<1>,6|C<3>}	111.8425	0.016	2	111.5663	0.107	6	111.5337	0.080	8	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:B[5]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt){2|H<1>,6|C<3>}	111.4282	0.319	4	111.5663	0.107	6	111.5337	0.080	8	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:B[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2){1|Mn<8>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	111.1075	0.029	2	111.1075	0.001	2	111.1075	0.001	2	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	108.9145	0.504	2	108.9145	0.254	2	108.6106	0.903	34	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	108.7413	0.562	12	108.7413	0.315	12	108.6106	0.903	34	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	107.9599	0.943	14	107.9599	0.889	14	108.6106	0.903	34	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	109.7662	0.196	6	109.7662	0.038	6	108.6106	0.903	34	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:P[5]-3:	C[5]-3:C[6a]-3:P[5]-3:	C[5](C[5]C[6a]P[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]P[5]Mn)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]P[5]Mn)	C[5](C[5]C[6a]P[5])2(C[6a]C[6a]2){2|Mn<6>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]P[5]Mn){1|Mn<6>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]P[5]Mn){1|Mn<6>,2|H<1>,5|C<3>}	117.8700	0.000	1	117.8700	0.000	1	117.8700	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2{1|N<3>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(NHH)	C[5](C[5]C[5]C)(C[5]C[5]N)(COO)	C[5](C[5]C[5]C)(C[5]C[5]N)(COO)	C[5](C[5]C[5]C)2(NHH){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(COO){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]N)(COO){2|C<3>}	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(CCC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(CCC){6|C<3>}	107.7590	0.182	2	107.7590	0.033	2	107.9278	0.098	12	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(CCH){6|C<3>}	108.0348	0.299	8	108.0348	0.089	8	107.9278	0.098	12	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(CC[6a]H){6|C<3>}	107.6690	0.365	2	107.6690	0.133	2	107.9278	0.098	12	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5])2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5])2{9|C<3>}	107.9810	0.086	2	107.9810	0.007	2	107.9810	0.007	2	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|C<2>,3|C<3>}	108.4590	0.000	1	108.4590	0.000	1	108.2859	0.183	9	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN){4|C<3>}	108.2490	0.000	1	108.2490	0.000	1	108.2859	0.183	9	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO){4|C<3>}	107.7840	0.000	1	107.7840	0.000	1	108.2859	0.183	9	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(COO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(COO){4|C<3>}	108.6467	0.148	4	108.6467	0.022	4	108.2859	0.183	9	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(CCC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(CCC){1|H<1>,5|C<3>}	107.7470	0.102	2	107.7470	0.010	2	108.2859	0.183	9	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H){1|O<1>,3|C<3>}	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2{1|N<3>,2|H<1>,7|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-3:N[5]-3:	C[5]-3:C-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]N[5]Pd)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]N[5]Pd)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|Pd<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]N[5]Pd){1|Pd<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]N[5]Pd){1|Pd<4>,3|C<3>}	104.7890	0.000	1	104.7890	0.000	1	104.7890	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){4|C<3>}	108.0730	0.000	1	108.0730	0.000	1	108.1125	0.003	2	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C[5](C[5]C[6a]C[5])2(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){4|C<3>}	C[5](C[5]C[6a]C[5])2(CCH){1|H<1>,5|C<3>}	108.1520	0.000	1	108.1520	0.000	1	108.1125	0.003	2	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CHN)	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CHN)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|Pd<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CHN){1|Pd<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CHN){1|Pd<4>,3|C<3>}	104.9450	0.000	1	104.9450	0.000	1	104.9450	0.000	1	108.0691	3.459	256	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	B[5]-3:C[5]-3:Si-4:	C[5](C[5]C[6a]C[5])(C[5]B[5]Si)(BC[6a]2)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[5](B[5]C[6a]C[5])(C[5]C[5]B)(SiC3)	C[5](C[5]C[6a]C[5])(C[5]B[5]Si)(BC[6a]2){1|Si<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,2|F<1>,3|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[5]B)(SiC3){1|Si<4>,3|C<3>}	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(CCC)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|C<3>}	108.1580	0.000	1	108.1580	0.000	1	107.4727	0.972	3	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCO)	C[5](C[5]C[5]C)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CCO){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(COO){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|H<1>}	106.3430	0.000	1	106.3430	0.000	1	107.4727	0.972	3	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)2(COO){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|C<3>}	107.9170	0.000	1	107.9170	0.000	1	107.4727	0.972	3	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]C)2(CF3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN){4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5]C)2(CF3){2|C<3>}	107.6050	0.000	1	107.6050	0.000	1	108.0040	0.318	2	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]C)2(CF3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO){4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5]C)2(CF3){2|C<3>}	108.4030	0.000	1	108.4030	0.000	1	108.0040	0.318	2	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]P)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)	C[5](C[5]C[5]C)(C[5]N[5]O)(PC[6a]3)	C[5](C[5]C[6a]N[5])(C[5]C[5]P)(CCH){1|O<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(PC[6a]3){1|C<3>,1|S<4>}	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:P[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]C[5]CO)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]C[5]CO){2|H<1>,6|C<3>}	114.5565	1.001	2	114.5565	1.001	2	114.5565	1.001	2	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:Si[5,5]-4:	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(Si[5,5]C[5]3)	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(Si[5,5]C[5]3){2|C<4>,5|H<1>,6|C<3>}	115.4440	0.000	1	115.4440	0.000	1	115.4440	0.000	1	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:Si-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si){1|Si<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si){1|Si<4>,2|H<1>,5|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3){1|Si<4>,5|C<3>}	111.9225	0.302	2	111.9225	0.091	2	111.9225	0.091	2	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:B[5]-3:Si-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[5](C[5]C[6a]C[5])(B[5]C[5]Cl)(SiC3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si){1|Cl<1>,1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si){1|Cl<1>,1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(B[5]C[5]Cl)(SiC3){1|Si<4>,3|C<3>}	112.3030	0.018	2	112.3030	0.000	2	112.3030	0.000	2	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,3|C<3>}	109.0785	0.209	2	109.0785	0.044	2	109.2813	0.145	3	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(CH3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(CH3){1|O<1>,5|C<3>}	109.6870	0.000	1	109.6870	0.000	1	109.2813	0.145	3	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(PC[6a]CC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(PC[6a]CC){1|H<1>,5|C<3>}	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si){1|Si<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si){1|Si<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3){1|Si<4>,3|C<3>}	110.3985	0.238	2	110.3985	0.057	2	110.3985	0.057	2	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2{1|I<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	109.7525	0.646	2	109.7525	0.417	2	109.7525	0.417	2	110.3265	5.947	22	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:I-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(I)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(I){1|Si<4>,3|C<3>}	113.2040	0.000	1	113.2040	0.000	1	113.2040	0.000	1	108.2980	8.504	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){4|C<3>}	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	108.2980	8.504	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	106.5107	0.279	3	106.5107	0.078	3	106.5107	0.078	3	108.2980	8.504	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:N[5]-2:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5]){4|C<3>}	106.3615	1.206	2	106.3615	1.454	2	106.3615	1.454	2	106.3615	1.454	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(CC[6a]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(CC[6a]O){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|H<1>,4|C<3>}	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	110.8549	0.984	8	110.8549	0.968	8	110.8549	0.968	8	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:Ge[5]-4:C[6a]-3:	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.8018	0.443	11	117.8018	0.196	11	117.8018	0.196	11	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	116.0003	0.372	6	115.9852	0.209	32	116.0688	0.222	43	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	116.5768	0.268	6	115.9852	0.209	32	116.0688	0.222	43	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	115.8031	0.374	20	115.9852	0.209	32	116.0688	0.222	43	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	116.8740	0.081	2	116.8740	0.006	2	116.0688	0.222	43	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	116.1874	0.387	9	116.1874	0.150	9	116.0688	0.222	43	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH){1|H<1>,3|C<3>}	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:B-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(BC[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B){1|B<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B){1|B<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(BC[6a]2){1|B<3>,3|C<3>}	117.1590	0.313	2	117.1590	0.098	2	117.1590	0.098	2	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCH){4|C<3>}	116.3455	0.293	2	116.3455	0.086	2	116.3455	0.086	2	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]CC)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]2){1|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]CC)(COO){1|C<4>,3|C<3>}	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	115.4780	5.778	69	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:Si[5]-4:	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]2Fe)(Si[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2){1|Fe<10>,2|H<1>,4|C<3>,5|C<4>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2){1|Fe<10>,2|H<1>,4|C<3>,5|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]2Fe)(Si[5]C[5]CC){2|H<1>,3|C<3>,3|C<4>}	116.4895	0.234	2	116.4895	0.055	2	116.4895	0.055	2	116.8234	0.966	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:Si-4:	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3){1|C<4>,3|C<3>}	117.8200	0.000	1	117.8200	0.000	1	117.8030	0.001	2	116.8234	0.966	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:Si-4:	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3){1|I<1>,3|C<3>}	117.7860	0.000	1	117.7860	0.000	1	117.8030	0.001	2	116.8234	0.966	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:C-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH){1|Si<4>,3|C<3>}	115.5320	0.000	1	115.5320	0.000	1	115.5320	0.000	1	116.8234	0.966	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O){1|O<2>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	107.1010	0.905	2	107.1010	0.819	2	107.2613	0.487	3	109.9592	14.525	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(O)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(O){1|H<1>,3|C<3>}	107.5820	0.000	1	107.5820	0.000	1	107.2613	0.487	3	109.9592	14.525	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O){1|C<4>,1|O<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){2|C<3>}	107.6810	0.000	1	107.6810	0.000	1	107.6810	0.000	1	109.9592	14.525	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(O){8|C<3>}	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.9592	14.525	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(COO)	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(COO){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[6a]C[5])(O){1|C<4>,7|C<3>}	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	109.9592	14.525	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[6a]C[5])(O)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[6a]C[5])(O){5|C<3>}	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	109.9592	14.525	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	Si[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){2|H<1>,7|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H){8|C<3>}	115.9130	0.000	1	115.9130	0.000	1	115.9130	0.000	1	109.9592	14.525	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){3|H<1>,6|C<3>}	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H){1|H<1>,7|C<3>}	115.0285	0.243	2	115.0285	0.059	2	115.0285	0.059	2	109.9592	14.525	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CC[6a]2)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O)	C[5](C[5]N[5]CC)(C[5]C[5]C)(NH)	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CC[6a]2){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(NH){1|C<3>,1|O<1>}	106.3530	0.000	1	106.3530	0.000	1	106.3530	0.000	1	106.6810	0.215	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-2:	C[5](C[5]C[5,5]C)(C[5]C[5]C)(NCH)	C[5](C[5]C[5,5]C)(C[5]C[5]N)(COO)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]N)(CN)	C[5](C[5]C[5,5]C)(C[5]C[5]C)(NCH){1|O<2>,2|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5]N)(COO){1|C<2>,1|C<3>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]N)(CN){1|O<1>,4|C<3>}	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	106.6810	0.215	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]2)(C[5]C[5]C)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)2(COO){1|C<4>,2|C<3>}	C[5](C[5]C[5]2)(C[5]C[5]C)(COO){1|Ru<10>,2|C<4>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO){1|C<3>,1|C<4>}	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|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>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,9|C<3>}	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	111.7650	0.000	1	111.7650	0.000	1	111.5943	0.180	9	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,7|C<3>}	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	111.4380	0.711	2	111.4380	0.506	2	111.5943	0.180	9	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|F<1>,8|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|F<1>,8|C<3>}	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,8|C<3>}	111.6220	0.221	2	111.6220	0.049	2	111.5943	0.180	9	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	111.3365	0.202	2	111.3365	0.041	2	111.5943	0.180	9	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|P<4>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|P<4>,2|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	111.8955	0.671	2	111.8955	0.450	2	111.5943	0.180	9	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](P[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5](P[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	114.3574	0.200	8	114.3574	0.040	8	114.3574	0.040	8	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	116.2960	0.209	2	116.2960	0.044	2	116.1656	0.186	8	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5](Si[5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,3|H<1>}	116.3255	0.346	2	116.3255	0.120	2	116.1656	0.186	8	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	116.4480	0.486	2	116.0205	0.323	4	116.1656	0.186	8	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	115.5930	0.038	2	116.0205	0.323	4	116.1656	0.186	8	113.5157	5.032	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){2|C<4>,3|C<3>}	107.8570	0.000	1	107.8570	0.000	1	107.8912	0.101	5	107.6733	0.206	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	107.7770	0.000	1	108.0615	0.162	2	107.8912	0.101	5	107.6733	0.206	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,4|C<3>}	108.3460	0.000	1	108.0615	0.162	2	107.8912	0.101	5	107.6733	0.206	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){2|H<1>,3|C<3>}	107.4790	0.000	1	107.4790	0.000	1	107.8912	0.101	5	107.6733	0.206	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,1|N<3>,3|C<3>}	107.9970	0.000	1	107.9970	0.000	1	107.8912	0.101	5	107.6733	0.206	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3)	C[5](C[5]C[5a]C[5])(O[5]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3){1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5])(O[5]C[5])(O){1|C<4>,3|C<3>}	107.1285	0.023	2	107.1285	0.001	2	107.1285	0.001	2	107.6733	0.206	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:N-2:	C[5](C[5]C[5]C)(C[5]N[5]N)(NCH)	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH)	C[5](C[5]C[5]N)(N[5]C[5])(NC)	C[5](C[5]C[5]C)(C[5]N[5]N)(NCH){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH){1|N<2>,2|C<3>}	C[5](C[5]C[5]N)(N[5]C[5])(NC){1|C<3>,1|C<4>}	105.2620	0.000	1	105.2620	0.000	1	105.2620	0.000	1	105.2620	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:2:4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-2:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3)	C[5](C[5]C[6a]C[5])(P[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3){1|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5])(P[5]C[5])(CH3){1|C<4>,3|C<3>}	114.2150	0.000	1	114.2150	0.000	1	114.2150	0.000	1	114.2150	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<4>,1|H<1>}	106.6830	0.000	1	106.6830	0.000	1	107.4830	1.280	2	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){2|C<3>}	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|C<4>}	108.2830	0.000	1	108.2830	0.000	1	107.4830	1.280	2	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Cd)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(COO){1|Cd<6>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Cd<6>,1|H<1>}	C[5](N[5]N[5]Cd)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	104.8710	0.000	1	104.8710	0.000	1	105.3025	0.372	2	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(COO){1|Co<6>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Co<6>,1|H<1>}	C[5](N[5]N[5]Co)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	105.7340	0.000	1	105.7340	0.000	1	105.3025	0.372	2	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<4>,4|C<3>}	106.8450	0.140	2	106.8450	0.020	2	106.8450	0.020	2	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]Si)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]Si)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]3){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|Si<4>,1|H<1>,4|C<3>}	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(H){2|H<1>,5|C<3>}	108.6456	0.230	9	108.6456	0.053	9	108.6917	0.068	10	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,1|P<4>,5|C<3>}	109.1070	0.000	1	109.1070	0.000	1	108.6917	0.068	10	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(CH3)	C[5](C[5]C[6a]C[5])2(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(CH3){1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(O){1|C<4>,5|C<3>}	106.6100	0.000	1	106.6100	0.000	1	106.6100	0.000	1	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]P)	C[5](C[5]C[6a]C[5])2(PC[6a]CC)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]P){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(PC[6a]CC){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|P<4>,5|C<3>}	107.2920	0.000	1	107.2920	0.000	1	107.2920	0.000	1	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CC[6a]HH)	C[5](C[5]C[6a]C[5])(N[5]N[5]B)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H){1|Co<6>,1|B<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CC[6a]HH){1|B<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]B)(H){1|Co<6>,1|C<4>,2|C<3>}	104.1968	0.240	6	104.1968	0.058	6	104.1968	0.058	6	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	N[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3)	C[5](C[5]N[5a]C[5])(N[5]C[5]C)(O)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5](C[5]N[5a]C[5])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	109.3730	0.000	1	109.3730	0.000	1	109.3730	0.000	1	107.0944	3.669	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|S<4>,4|C<3>}	106.3655	1.784	2	106.3655	3.183	2	106.3655	3.183	2	108.1280	8.025	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[5]-3:N-3:	C[5,6]-3:C[5]-3:Si-4:	C[5,6]-3:C[5]-3:C-2:	C[5](C[5]C[5,6]Si)(C[5]C[5,6]C)(NHH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(CN)	C[5](C[5]C[5,6]Si)(C[5]C[5,6]C)(NHH){2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(SiC3){1|C<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)(CN){1|Si<4>,2|C<4>,2|H<1>}	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	108.1280	8.025	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC){1|C<4>,1|O<1>,2|C<3>}	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	108.1280	8.025	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	106.9710	0.132	2	106.9710	0.017	2	107.1168	0.601	12	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)2(CCH){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	107.2440	0.000	1	107.2440	0.000	1	107.1168	0.601	12	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)2(CCH){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	106.5430	0.000	1	106.5430	0.000	1	107.1168	0.601	12	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	106.6220	0.010	2	106.6220	0.000	2	107.1168	0.601	12	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	106.7780	0.272	4	106.7780	0.074	4	107.1168	0.601	12	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(COO){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|C<4>}	108.6585	0.530	2	108.6585	0.281	2	107.1168	0.601	12	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:N-3:	C[5](C[5]N[5]C)(C[5]N[5]N)(CCO)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]C)(NHH)	C[5](C[5]N[5]C)(C[5]N[5]N)(CCO){1|Zn<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|N<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]C)(NHH){1|C<4>,1|H<1>}	104.2620	0.000	1	104.2620	0.000	1	104.2620	0.000	1	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N-3:	C[5](C[5]N[5]C)(C[5]N[5]N)(CCO)	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]C)(NHH)	C[5](C[5]N[5]C)(C[5]N[5]N)(CCO){2|Zn<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3){1|Zn<4>,1|N<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]C)(NHH){1|Zn<4>,1|C<4>}	104.2870	0.000	1	104.2870	0.000	1	104.2870	0.000	1	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]N[5]C)2	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3)	C[5](C[5]C[5]2)(C[5]N[5]C)2	C[5](C[5]C[5]2)(C[5]N[5]C)2{2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]2)(C[5]N[5]C)2{2|C<4>,2|H<1>,2|N<3>}	126.7043	1.732	8	126.7043	2.999	8	126.7043	2.999	8	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:B[5]-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H){2|H<1>,2|N<3>,6|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	111.7590	0.148	2	111.7590	0.022	2	111.7590	0.022	2	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])2(CC[6a]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])2(CC[6a]O){2|H<1>,5|C<3>}	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	B[5]-3:C[5]-3:Si-4:	C[5]-3:C[5]-3:B-3:	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)	C[5](C[5]C[6a]C[5])(C[5]B[5]Si)(BC[6a]2)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,2|F<1>,3|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3){1|Si<4>,1|B<3>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]B[5]Si)(BC[6a]2){1|Si<4>,3|C<3>}	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	113.6403	84.163	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CCC){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,3|C<3>}	108.3610	0.000	1	108.3610	0.000	1	107.2665	2.396	2	106.5060	1.248	31	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CC[6a]H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CC[6a]H){2|C<4>}	C[5](C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){2|C<4>}	106.1720	0.000	1	106.1720	0.000	1	107.2665	2.396	2	106.5060	1.248	31	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CPdN)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)2(CPdN){2|C<4>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){2|C<4>}	106.1640	0.000	1	106.1640	0.000	1	106.1640	0.000	1	106.5060	1.248	31	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]2)(C[5]N[5]C)2	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3)	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3)	C[5](C[5]C[5]2)(C[5]N[5]C)2{2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.4108	0.494	16	106.4108	0.244	16	106.4108	0.244	16	106.5060	1.248	31	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(NOO)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)2(NOO){2|C<4>}	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){2|C<4>}	109.2330	0.052	2	109.2330	0.003	2	109.2330	0.003	2	106.5060	1.248	31	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(NHH)	C[5](C[5]C[5]N)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]N)(CH3)	C[5](C[5]N[5]C)2(NHH){1|Co<4>,1|H<1>}	C[5](C[5]C[5]N)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]N)(CH3){1|C<4>,1|H<1>}	106.1470	0.054	2	106.1470	0.003	2	106.1470	0.003	2	106.5060	1.248	31	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5a]C[5a,6a]2)(C[5]C[5,6a]C)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF)	C[5](C[5a]C[5a,6a]2)(C[5]C[5,6a]C)2{6|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF){1|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF){1|C<4>,5|C<3>}	104.4780	0.000	1	104.4780	0.000	1	104.4780	0.000	1	106.5060	1.248	31	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CH3)	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Co<6>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Co<6>,1|C<4>,2|C<3>}	105.9830	0.000	1	105.9830	0.000	1	106.1683	1.652	7	106.5060	1.248	31	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.1420	0.000	1	107.1420	0.000	1	106.1683	1.652	7	106.5060	1.248	31	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.8150	0.000	1	106.8150	0.000	1	106.1683	1.652	7	106.5060	1.248	31	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3)	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|Pd<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	105.8095	1.633	4	105.8095	2.666	4	106.1683	1.652	7	106.5060	1.248	31	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O){1|O<2>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,3|C<3>}	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	109.2147	1.298	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O){1|O<2>,4|F<1>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<1>,1|O<2>,2|F<1>,5|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(O){2|F<1>,3|C<3>}	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	109.2147	1.298	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,3|C<3>}	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	109.2147	1.298	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CCH){1|C<2>,4|C<3>}	111.1830	0.008	2	111.1830	0.000	2	111.1830	0.000	2	111.1830	0.000	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<3>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(O){2|C<4>}	107.9030	0.000	1	107.9030	0.000	1	107.8088	0.177	5	107.8616	0.136	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(O){1|C<4>,1|H<1>}	107.7525	0.456	2	107.7525	0.208	2	107.8088	0.177	5	107.8616	0.136	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC3)	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(COO){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC3){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){1|C<4>,1|H<1>}	107.8180	0.696	2	107.8180	0.484	2	107.8088	0.177	5	107.8616	0.136	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<4>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	107.9275	0.340	4	107.9275	0.116	4	107.9275	0.116	4	107.8616	0.136	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:P-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]P)(COO)	C[5](C[5]C[5]C)(C[5]C[5]O)(PC[6a]3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]C[5]P)(COO){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(PC[6a]3){1|O<2>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(COO){1|O<1>,1|P<4>}	112.7400	0.000	1	112.7400	0.000	1	112.7400	0.000	1	112.7400	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]BrH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O){1|Br<1>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]BrH)(O){2|C<3>,3|H<1>}	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:2:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:N-2:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a])	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]){1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	107.5225	0.194	2	107.5225	0.038	2	107.5225	0.038	2	107.5225	0.038	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:2:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:S-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){2|C<3>,2|F<1>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC){1|O<1>,2|C<3>,2|F<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(O){1|S<2>,2|C<3>,2|H<1>}	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	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)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CCH){1|C<3>,1|C<4>,2|H<1>}	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[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	104.3020	0.000	1	104.3020	0.000	1	105.0225	1.038	2	106.4886	1.208	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	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)	C[5](C[5]C[5]C)(O[5]C[5])(O)	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>}	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[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	105.7430	0.000	1	105.7430	0.000	1	105.0225	1.038	2	106.4886	1.208	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	106.9560	0.000	1	106.9560	0.000	1	106.9560	0.000	1	106.4886	1.208	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-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[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H)	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[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]C[6])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	105.9480	0.000	1	105.9480	0.000	1	105.9480	0.000	1	106.4886	1.208	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:N-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H){1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	107.2400	0.341	4	107.2400	0.116	4	107.2400	0.116	4	106.4886	1.208	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5]-3:O[5]-2:N-3:	C[5](C[5]B[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]N)	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(O[5]B[5,5])(NC[6a]H)	C[5](C[5]B[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]N){2|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]B[5,5])(NC[6a]H){2|O<2>,3|C<3>}	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]H)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(H){2|H<1>,5|C<3>}	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	109.0195	0.037	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]O){1|O<1>,1|S<4>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	108.9847	0.220	3	108.9847	0.048	3	108.9847	0.048	3	109.0195	0.037	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){2|H<1>,3|C<3>}	107.0060	0.000	1	107.0060	0.000	1	107.0060	0.000	1	109.2587	0.848	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(CCC)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]C[5]S)(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(CCC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]S)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	109.2587	0.848	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	109.5390	0.011	2	109.5400	0.014	6	109.5400	0.014	6	109.2587	0.848	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|O<1>,2|H<1>,2|N<3>,7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	109.5405	0.153	4	109.5400	0.014	6	109.5400	0.014	6	109.2587	0.848	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(NCH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3){1|C<3>,2|H<1>}	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	113.5060	7.046	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:B-4:C[5]-3:	C[5]-3:B[5]-3:Si-4:	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si)	C[5](C[5]C[6a]C[5])(B[5]C[5]N)(SiC3)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,1|N<3>,2|C<3>,2|F<1>}	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si){1|Si<4>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]C[5])(B[5]C[5]N)(SiC3){1|Si<4>,1|B<4>,2|C<3>}	115.3830	0.000	1	115.3830	0.000	1	115.3830	0.000	1	113.5060	7.046	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:C-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[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCH)	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[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>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	109.0235	0.525	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5,5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	109.0235	0.525	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	4:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C){1|C<3>,2|H<1>}	111.1450	0.000	1	111.1450	0.000	1	111.6850	0.583	2	111.6850	0.583	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:3:	4:3:3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|C<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH){1|C<3>,2|H<1>}	112.2250	0.000	1	112.2250	0.000	1	111.6850	0.583	2	111.6850	0.583	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[3]-4:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C[3])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5]C[5,5]C[3])(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(O){2|C<4>,3|C<3>}	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	108.8320	0.271	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(O){1|C<4>,2|C<3>,2|H<1>}	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.8320	0.271	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	2:3:2:	C[5]-3:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:	N[5]-2:C[5]-3:S-2:	C[5](C[5]C[5,5]H)(C[5]N[5]S)(CC[6a]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)	C[5](N[5]C[5,5])(C[5]C[5]C)(SC)	C[5](C[5]C[5,5]H)(C[5]N[5]S)(CC[6a]O){2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	C[5](N[5]C[5,5])(C[5]C[5]C)(SC){1|H<1>,2|C<3>}	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){3|H<1>}	106.7710	0.000	1	106.7710	0.000	1	106.7710	0.000	1	108.3680	7.843	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.5050	0.057	2	106.5050	0.003	2	106.5050	0.003	2	108.3680	7.843	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:2:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:S[5]-2:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[6a]C[5]S[5])(C[5]C[5a]C[5])(H)	C[5](C[5]C[5a]C[5])(S[5]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O){1|C<4>,1|S<2>,4|C<3>}	C[5](C[5]C[6a]C[5]S[5])(C[5]C[5a]C[5])(H){1|O<1>,1|S<2>,6|C<3>}	C[5](C[5]C[5a]C[5])(S[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	113.2320	0.018	2	113.2320	0.000	2	113.2320	0.000	2	108.3680	7.843	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:2:1:	C[6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	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[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6])(O)	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[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>}	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>}	107.5620	0.131	3	107.5620	0.017	3	107.5620	0.017	3	108.3680	7.843	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	108.3680	7.843	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:2:2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N)	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(NO)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H){1|N<2>,1|S<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(NO){1|C<4>,1|H<1>,3|C<3>}	106.4660	0.000	1	106.4660	0.000	1	106.4660	0.000	1	106.4660	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:2:4:	C[5]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]C)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(O)	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(CH3)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(O){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|O<1>,2|C<3>,2|C<4>}	105.6610	0.000	1	105.6610	0.000	1	105.6610	0.000	1	105.6610	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]Br)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)2(COO){1|Br<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|Br<1>,1|H<1>}	C[5](C[5]C[5]Br)(C[5]C[5]C)(H){1|H<1>,2|C<4>}	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCC){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	107.0660	0.000	1	107.0660	0.000	1	107.0660	0.000	1	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	106.7396	0.776	7	106.7396	0.602	7	106.7396	0.602	7	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH)	C[5](C[5]N[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]N)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]N)(N[5]C[5]C)(O){3|H<1>}	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH)	C[5](C[5]C[5]CC)(C[5]C[5]N)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]N)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	110.2157	0.771	4	110.2157	0.595	4	110.0102	0.657	5	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(NC[6a]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	109.1880	0.000	1	109.1880	0.000	1	110.0102	0.657	5	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:S-3:	C[5,5]-4:C[5]-3:O-1:	N[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(SCC)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]S)(O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]S)(O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(SCC){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]S)(O){1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]S)(O){1|O<1>,2|C<4>,3|H<1>}	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	107.8660	0.000	1	107.8660	0.000	1	107.1640	0.293	5	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	107.0490	0.000	1	107.0490	0.000	1	107.1640	0.293	5	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	107.2620	0.000	1	107.2620	0.000	1	107.1640	0.293	5	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	106.3620	0.000	1	106.3620	0.000	1	107.1640	0.293	5	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]O)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	107.2810	0.000	1	107.2810	0.000	1	107.1640	0.293	5	108.1653	3.122	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:2:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2	C[5](C[5]C[5a]C[5]C)(C[5]C[5a]C[5])(O)	C[5](C[5]C[5a]C[5])(C[5]C[5]O)(OC)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5a]C[5])(O){1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]O)(OC){1|O<1>,4|C<3>}	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-3:	C[5,5]-4:C[5]-3:O-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]O)(C[5]N[5]C)(CC[6a]O)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(O)	C[5](N[5]C[5,5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]O)(C[5]N[5]C)(CC[6a]O){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(O){2|C<4>,3|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	107.9260	0.000	1	107.9260	0.000	1	107.9260	0.000	1	107.9260	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>}	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CCN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){3|H<1>}	108.5175	0.639	2	108.5175	0.408	2	108.5175	0.408	2	109.0687	0.488	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CCO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CCO){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|O<1>,2|C<4>}	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	109.0687	0.488	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[4,5]-4:C[5]-3:O-1:	C[4,5]-4:C[5]-3:O-1:	C[5](C[5]C[4,5]O)2(C[5]S[5]2)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]2)(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]2)(O)	C[5](C[5]C[4,5]O)2(C[5]S[5]2){2|H<1>,4|C<4>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	109.0687	0.488	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:O-1:	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(C[6a]C[6a]2)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[6a]C[5])(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[6a]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[6a]C[5])(O){1|C<4>,2|H<1>,3|C<3>}	108.6460	0.000	1	108.6460	0.000	1	108.6460	0.000	1	109.0687	0.488	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(NCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(O){3|H<1>}	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.0687	0.488	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	4:3:2:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]H)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(ORu)	C[5](C[5]C[5]H)(C[5]C[5]O)(COO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(ORu){3|H<1>}	109.0240	0.000	2	109.0240	0.000	2	109.0240	0.000	2	109.0240	0.000	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]Si)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HS)(C[5]C[5]C)(SiC3)	C[5](C[5]C[5]Si)(C[5]C[5]O)(COO){1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|Si<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]HS)(C[5]C[5]C)(SiC3){1|O<1>,2|H<1>}	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	2:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:O-2:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CCH)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CCH){2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|O<2>,2|C<4>}	105.9370	0.000	1	105.9370	0.000	1	106.3390	0.131	3	106.3390	0.131	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	2:3:1:	C[5]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:O-2:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CCO)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CCO){2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|O<2>,2|C<4>}	106.5400	0.143	2	106.5400	0.020	2	106.3390	0.131	3	106.3390	0.131	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OC)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){1|O<2>,2|C<3>,2|C<4>}	105.2770	0.368	2	105.2770	0.135	2	105.5057	0.224	3	105.7218	0.232	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OH)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){1|O<2>,2|C<3>,2|C<4>}	105.9630	0.000	1	105.9630	0.000	1	105.5057	0.224	3	105.7218	0.232	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC)	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(O)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]O){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(O){1|O<2>,2|C<3>,2|C<4>}	105.8298	0.490	6	105.8298	0.240	6	105.8298	0.240	6	105.7218	0.232	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	3:2:3:	C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:O[5]-2:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]O[5])(C[5]N[5]C)(NOO)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]N)(O[5]N[5])	C[5](C[5]C[5]N)(N[5]O[5])(CHH)	C[5](C[5]C[5]O[5])(C[5]N[5]C)(NOO){1|H<1>,2|C<4>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]N)(O[5]N[5]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5]N)(N[5]O[5])(CHH){1|C<4>}	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])(OC)	C[5](C[5]C[6a]C[5])(N[5]C[5,6]H)(O)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5,6]H)(O){1|O<2>,2|C<3>,2|C<4>}	105.9870	0.000	1	105.9870	0.000	1	105.9870	0.000	1	105.9870	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CN)	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[5]C)2(CCC){3|C<2>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CN){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CCC){3|C<2>}	105.4890	0.000	1	105.4890	0.000	1	105.6640	0.061	2	105.8763	0.166	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CRu)	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[5]C)2(CCC){3|C<2>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CRu){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)2(CCC){3|C<2>}	105.8390	0.000	1	105.8390	0.000	1	105.6640	0.061	2	105.8763	0.166	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(OC)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)(C[5]C[5]O)(COO){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(OC){2|C<3>}	C[5](C[5]C[5]C)2(COO){1|O<2>,2|C<4>}	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	105.8763	0.166	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:S-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,1|S<2>,3|C<3>}	108.9440	0.000	2	108.9440	0.000	2	108.9440	0.000	2	108.9440	0.000	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O[5])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]O[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O[5])(C[5]C[5]O)(COO){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(O){1|C<4>}	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.7140	0.181	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[6]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6]O[5])(C[5]C[5]O)(COO)	C[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]O[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[6]O[5])(C[5]C[5]O)(COO){1|C<3>,1|H<1>,3|C<4>}	C[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(O){1|C<4>}	108.0150	0.000	1	108.0150	0.000	1	108.0150	0.000	1	107.7140	0.181	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	2:3:1:	C[5]-3:C[5]-3:N-3:	C[5,5]-4:C[5]-3:C-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]O[5]O)(NC[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]N)(COO)	C[5](O[5]C[5,5])(C[5]C[5]N)(O)	C[5](C[5]C[5,5]C)(C[5]O[5]O)(NC[6a]H){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]N)(COO){1|N<3>,2|C<3>,2|O<1>}	C[5](O[5]C[5,5])(C[5]C[5]N)(O){3|C<3>}	107.4300	0.259	2	107.4300	0.067	2	107.4300	0.067	2	107.4300	0.067	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	2:3:2:	C[5]-3:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	O[5]-2:C[5]-3:N-2:	C[5](C[5]C[5,5]C)(C[5]O[5]N)(COO)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO)	C[5](O[5]C[5,5])(C[5]C[5]C)(NC[6])	C[5](C[5]C[5,5]C)(C[5]O[5]N)(COO){1|C<3>,1|O<2>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C)(COO){1|N<2>,3|C<3>}	C[5](O[5]C[5,5])(C[5]C[5]C)(NC[6]){1|O<2>,2|C<3>}	109.4030	0.112	2	109.4030	0.012	2	109.4030	0.012	2	109.1890	0.144	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	2:3:2:	C[5]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C-3:	O[5]-2:C[5]-3:N-2:	C[5](C[5]C[5,6]C)(C[5]O[5]N)(COO)	C[5](C[5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]C)(COO)	C[5](O[5]C[5,6])(C[5]C[5]C)(NC[6])	C[5](C[5]C[5,6]C)(C[5]O[5]N)(COO){1|C<3>,1|C<4>}	C[5](C[5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]C)(COO){1|N<2>,5|C<3>}	C[5](O[5]C[5,6])(C[5]C[5]C)(NC[6]){1|C<4>,2|C<3>}	108.7610	0.000	1	108.7610	0.000	1	108.7610	0.000	1	109.1890	0.144	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCC){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	106.0580	0.000	1	106.0580	0.000	1	107.5915	4.703	2	108.0715	0.788	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<3>}	109.1250	0.000	1	109.1250	0.000	1	107.5915	4.703	2	108.0715	0.788	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){5|C<3>}	107.8730	0.000	1	107.8730	0.000	1	107.8365	0.003	2	108.0715	0.788	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){1|C<4>,1|O<2>,3|C<3>}	107.8000	0.000	1	107.8000	0.000	1	107.8365	0.003	2	108.0715	0.788	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(O)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,6|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(O){5|C<3>}	108.0987	0.271	3	108.0987	0.073	3	108.0987	0.073	3	108.0715	0.788	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,4|C<3>}	108.6597	0.789	3	108.6597	0.622	3	108.4087	0.666	4	108.0715	0.788	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<2>,4|C<3>}	107.6560	0.000	1	107.6560	0.000	1	108.4087	0.666	4	108.0715	0.788	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:2:2:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:N-2:	C[5](C[5]C[5]C)(C[5]O[5]N)(COO)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(O[5]C[5])(NC[6])	C[5](C[5]C[5]C)(C[5]O[5]N)(COO){1|C<3>,1|C<4>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO){1|N<2>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(NC[6]){1|C<4>,2|C<3>}	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]C)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H){1|C<4>,4|C<3>}	108.5060	0.000	1	108.5060	0.000	1	108.5060	0.000	1	108.5060	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:2:4:	C[5]-3:C[5]-3:C-3:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrC)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]Si[5])(CC3)	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrC){2|C<3>,2|C<4>}	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]Si[5])(CC3){1|C<3>,2|C<4>}	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]N[5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO)	C[5](N[5]C[5,5]C)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C)(C[5]N[5]O)(COO){1|C<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(COO){1|C<4>,1|O<1>,4|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]C)(O){3|C<3>}	109.1610	0.081	2	109.1610	0.006	2	109.1610	0.006	2	108.9480	1.058	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:S-1:	C[5](C[5]C[5,5]C[6a])(C[5]N[5]S)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[5,5]H)(C[5]C[5]C)(S)	C[5](C[5]C[5,5]C[6a])(C[5]N[5]S)(CC[6a]O){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5](N[5]C[5,5]H)(C[5]C[5]C)(S){3|C<3>}	110.4800	0.000	1	110.4800	0.000	1	110.4800	0.000	1	108.9480	1.058	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(O){7|C<3>}	110.5040	0.000	1	110.5040	0.000	1	110.5040	0.000	1	108.9480	1.058	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:N-3:	C-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O)	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>}	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.9480	1.058	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:N-3:	C[5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H){1|C<4>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|C<4>,1|H<1>,2|C<3>}	109.0175	0.409	2	109.0175	0.168	2	109.0175	0.168	2	108.9480	1.058	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]C)(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]C)(H){5|C<3>}	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	108.9480	1.058	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,6]C)(H)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,6]C)(H){5|C<3>}	108.7180	0.081	2	108.7180	0.006	2	108.7180	0.006	2	108.9480	1.058	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|C<3>}	106.6540	0.000	1	106.6540	0.000	1	106.6540	0.000	1	108.9480	1.058	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CCH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){5|C<3>}	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	108.9480	1.058	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:2:	C[5]-3:C[5]-3:B-3:	C[5]-4:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:C-2:	C[5](C[5]C[6a]C[5])(C[5]B[5]C)(BC[6a]2)	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B)	C[5](B[5]C[6a]C[5])(C[5]C[5]B)(CO)	C[5](C[5]C[6a]C[5])(C[5]B[5]C)(BC[6a]2){2|Si<4>,3|C<3>}	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B){1|C<2>,2|F<1>,3|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[5]B)(CO){2|Si<4>,3|C<3>}	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	106.7400	0.239	6	106.7400	0.057	6	107.0755	0.429	8	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	108.0820	0.127	2	108.0820	0.016	2	107.0755	0.429	8	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5,5]C)(C[5]C[5]N)(COO)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO)	C[5](C[5]C[5,5]C)(C[5]C[5]C)(NCH)	C[5](C[5]C[5,5]C)(C[5]C[5]N)(COO){1|C<2>,1|C<3>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(COO){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5]C)(NCH){1|O<2>,2|C<3>}	109.9580	0.000	1	109.9580	0.000	1	109.9580	0.000	1	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-4:C-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]PdO)(CC[5a]C[6a])(C[5]C[5]C)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|Pd<5>,1|C<3>,1|O<2>}	C[5](C[5]C[5]PdO)(CC[5a]C[6a])(C[5]C[5]C){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|Pd<5>,1|C<3>,1|O<2>}	107.6365	0.426	2	107.6365	0.182	2	107.6365	0.182	2	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]CuO)(C[5]C[5]C)(CC[5a]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(CCH){1|Cu<5>,1|C<3>,1|O<2>}	C[5](C[5]C[5]CuO)(C[5]C[5]C)(CC[5a]H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){1|Cu<5>,1|C<3>,1|O<2>}	107.6535	0.069	2	107.6535	0.005	2	108.5606	0.929	5	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)	C[5](C[5]C[5]C)2(COO){1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO){1|C<3>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(COO){1|C<3>,2|C<4>}	109.9590	0.000	1	109.9590	0.000	1	108.5606	0.929	5	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]NiC)(C[5]C[5]C)(CC[5a]H)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)2(COO){1|Ni<4>,1|C<3>,1|C<4>}	C[5](C[5]C[5]NiC)(C[5]C[5]C)(CC[5a]H){2|C<3>}	C[5](C[5]C[5]C)2(COO){1|Ni<4>,1|C<3>,1|C<4>}	108.7685	0.158	2	108.7685	0.025	2	108.5606	0.929	5	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Mn<8>,2|C<4>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	111.8150	0.154	2	111.8150	0.024	2	111.4313	0.230	4	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,9|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	111.0475	0.278	2	111.0475	0.077	2	111.4313	0.230	4	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	110.1430	0.368	2	110.1430	0.135	2	110.1430	0.135	2	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	110.8150	0.000	1	110.3830	0.373	2	110.3830	0.373	2	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	109.9510	0.000	1	110.3830	0.373	2	110.3830	0.373	2	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,8|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	109.4232	0.601	4	109.5613	0.278	6	109.6042	0.167	12	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	109.8375	0.275	2	109.5613	0.278	6	109.6042	0.167	12	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,9|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	109.6870	0.520	2	109.6470	0.084	6	109.6042	0.167	12	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	109.6270	0.220	4	109.6470	0.084	6	109.6042	0.167	12	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	109.2815	0.183	4	109.2815	0.033	4	109.4057	0.048	8	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	109.5300	0.192	4	109.5300	0.037	4	109.4057	0.048	8	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	Si[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5,6]C[5]O[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	C[5](Si[5,6]C[5]O[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|Si<4>,2|H<1>,6|C<3>}	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	116.2297	0.241	4	116.2297	0.058	4	116.2297	0.058	4	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<4>,6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	116.6445	0.377	2	116.6445	0.142	2	116.4357	0.179	6	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	116.3312	0.455	4	116.3312	0.207	4	116.4357	0.179	6	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){2|H<1>,7|C<3>}	115.5700	0.000	1	115.5700	0.000	1	115.5700	0.000	1	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]C[5])(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]C[5])(COO){1|Pd<5>,2|C<4>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|C<4>,4|C<3>}	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	110.5174	9.790	56	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(O){2|C<4>,3|C<3>}	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	109.4413	0.751	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]OO)(O)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,3|O<2>,5|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]OO)(O){1|O<2>,4|C<3>}	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	109.4413	0.751	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NC[6a]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NC[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){1|H<1>,1|N<3>,3|C<3>}	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	109.4413	0.751	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(CC[6a]O){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(O){3|C<3>}	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]C)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]C){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(CC[6a]O)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(O){1|C<4>,3|H<1>,4|C<3>}	109.6430	0.000	1	109.6430	0.000	1	110.1813	0.218	3	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[5,5]C[5]3)(C[5]C[5]C)(O){1|C<3>,3|C<4>,5|H<1>}	110.4680	0.000	1	110.4505	0.001	2	110.1813	0.218	3	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]C)(O){2|C<3>,2|C<4>,4|H<1>}	110.4330	0.000	1	110.4505	0.001	2	110.1813	0.218	3	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[3x5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[6a]C[5])(O){1|C<4>,2|O<2>,5|C<3>}	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:B[6a]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]B[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(B[6a]N[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]B[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(B[6a]N[6a]2){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){1|B<3>,2|C<4>,2|H<1>,3|C<3>}	110.0965	0.658	2	110.0965	0.433	2	110.0965	0.433	2	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[5]C[6a]C[5])(CCH)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[5]C[6a]C[5])(CCH){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){1|C<4>,7|C<3>}	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[5a]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2){1|O<1>,1|S<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){2|H<1>,3|C<3>,3|C<4>}	109.3140	0.000	1	109.3140	0.000	1	109.3140	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){2|H<1>,3|C<3>,3|C<4>}	108.5510	0.000	1	109.1527	0.274	3	109.1527	0.274	3	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){2|H<1>,3|C<3>,3|C<4>}	109.4535	0.064	2	109.1527	0.274	3	109.1527	0.274	3	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[6a]C[5])(O){9|C<3>}	109.0230	0.000	1	109.0230	0.000	1	109.0230	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]){1|O<1>,3|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){2|H<1>,3|C<3>,3|C<4>}	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|P<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[6a]C[5])(O){1|C<4>,1|W<6>,6|C<3>}	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,8|C<3>}	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(O){1|O<2>,7|C<3>}	108.7590	0.000	1	108.7590	0.000	1	108.7590	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:N-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(NCS)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CHH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]N)(H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(NCS){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CHH){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]N)(H){1|C<3>,2|C<4>,3|H<1>}	112.4060	0.000	1	112.4060	0.000	1	112.4060	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(NC[6a]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(COO)	C[5](C[5]C[5]HH)(C[5]C[5]N)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(NC[6a]H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(COO){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(O){1|H<1>,2|C<3>}	108.3390	0.677	2	108.3390	0.459	2	108.3390	0.459	2	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[5a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(O)	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	109.3060	0.000	1	109.3060	0.000	1	109.3060	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|H<1>,2|S<2>,3|C<3>}	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,2|S<2>,4|C<3>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H){1|O<2>,2|C<4>,4|C<3>}	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,2|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O){1|O<2>,6|C<3>}	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	109.6058	0.912	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	P[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(COO)	C[5](C[5]C[6a]P[5]C)(C[5]C[5]C)(COO)	C[5](P[5]C[6a]2C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]P[5]C)(COO){4|C<3>}	C[5](C[5]C[6a]P[5]C)(C[5]C[5]C)(COO){5|C<3>}	C[5](P[5]C[6a]2C[5])(C[5]C[5]C)(COO){7|C<3>}	118.3350	0.000	1	118.3350	0.000	1	118.3350	0.000	1	118.3350	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH){1|C<4>,6|C<3>}	111.6345	0.185	2	111.6345	0.034	2	110.8230	0.890	4	110.8230	0.890	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3){1|C<4>,6|C<3>}	110.0115	0.021	2	110.0115	0.000	2	110.8230	0.890	4	110.8230	0.890	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:4:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){1|O<2>,2|C<3>,2|C<4>}	108.3520	0.000	1	108.3520	0.000	1	107.8370	0.530	2	107.8066	0.353	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:4:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){1|O<2>,2|C<3>,2|C<4>}	107.3220	0.000	1	107.3220	0.000	1	107.8370	0.530	2	107.8066	0.353	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:4:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-4:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	108.1040	0.000	1	108.1040	0.000	1	107.7863	0.439	3	107.8066	0.353	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:4:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-4:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	108.2300	0.000	1	107.6275	0.726	2	107.7863	0.439	3	107.8066	0.353	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:4:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-4:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	107.0250	0.000	1	107.6275	0.726	2	107.7863	0.439	3	107.8066	0.353	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:4:	3:4:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){2|C<3>,3|C<4>}	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:4:	3:4:3:	C[6a]-3:C[5]-3:C[5]-3:	B[5]-4:C[5]-3:Si-4:	C[5]-3:B-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3)	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3){1|Si<4>,1|B<4>,6|C<3>}	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si){1|Si<4>,1|N<3>,3|C<3>}	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,2|C<4>,2|H<1>}	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:4:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-4:C-4:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[5]C[6a]C[5]C[6])(CC[6a]PdC)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5]C[6])(CC[6a]PdC)(C[5]C[5]C){1|C<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|C<4>,2|H<1>,3|C<3>}	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	109.9455	0.250	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:4:3:	3:3:3:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]2)(C[5]C[5]C)(COO)	C[5](C[5]C[5]2Ru)(C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]2)(C[5]C[5]C)(COO){1|Ru<10>,2|C<4>,3|C<3>}	C[5](C[5]C[5]2Ru)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)2(COO){1|C<4>,2|C<3>}	109.5920	0.000	1	109.5920	0.000	1	109.5920	0.000	1	109.9455	0.250	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	4:4:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[5])	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){2|C<3>,2|H<1>,4|C<4>}	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:3:	5:3:4:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	P[5]-5:C[5]-3:C[3]-4:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[3]P[5])(C[6a]C[6a]2)(C[5]O[5]C)	C[5](P[5]C[6a]3O[5])(C[5]C[6a]C[5])(C[3]C[3]2H)	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCH)	C[5](C[5]C[3]P[5])(C[6a]C[6a]2)(C[5]O[5]C){2|C<4>,3|H<1>,5|C<3>}	C[5](P[5]C[6a]3O[5])(C[5]C[6a]C[5])(C[3]C[3]2H){4|H<1>,9|C<3>}	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCH){1|C<4>,5|C<3>}	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]C)(Br)	C[5](C[5]C[5]Br)(C[5]O[5]O)(CH3){1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|Br<1>,1|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]C)(Br){1|O<1>}	105.6227	0.388	6	105.6227	0.151	6	105.6227	0.151	6	106.4780	0.485	18	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH){1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]C)(H){1|O<1>}	106.9720	0.000	1	106.9720	0.000	1	106.9057	0.083	12	106.4780	0.485	18	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]C)(H){1|O<1>}	106.8996	0.301	11	106.8996	0.090	11	106.9057	0.083	12	106.4780	0.485	18	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	107.8775	0.281	4	107.8775	0.079	4	107.6636	0.108	16	108.1414	2.857	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH){1|O<1>}	107.4613	0.224	4	107.4613	0.050	4	107.6636	0.108	16	108.1414	2.857	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	107.7113	0.526	4	107.7113	0.277	4	107.6636	0.108	16	108.1414	2.857	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|O<1>}	107.5250	0.000	1	107.5250	0.000	1	107.6636	0.108	16	108.1414	2.857	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|N<2>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|N<2>}	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH){1|O<1>}	107.5450	0.000	1	107.5450	0.000	1	107.6636	0.108	16	108.1414	2.857	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|O<1>}	107.6740	0.099	2	107.6740	0.010	2	107.6636	0.108	16	108.1414	2.857	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(P[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>}	C[5](C[5]C[5]C)(P[5]C[5])(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>}	112.7960	0.209	2	112.7960	0.044	2	112.7960	0.044	2	108.1414	2.857	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	3:3:4:	C[5]-3:C[5]-3:Si-4:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]Si)(C[5]O[5]O)(SiC3)	C[5](C[5]C[5]Si)(O[5]C[5])(O)	C[5](C[5]C[5]Si)(C[5]O[5]C)(SiC3)	C[5](C[5]C[5]Si)(C[5]O[5]O)(SiC3){1|C<3>}	C[5](C[5]C[5]Si)(O[5]C[5])(O){1|Si<4>,1|C<3>}	C[5](C[5]C[5]Si)(C[5]O[5]C)(SiC3){1|O<1>}	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	108.1414	2.857	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC3){2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	106.6410	0.000	1	106.6410	0.000	1	107.0957	0.348	30	107.3547	1.559	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	106.9132	0.483	11	106.9132	0.234	11	107.0957	0.348	30	107.3547	1.559	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	107.7920	0.380	2	107.7920	0.145	2	107.0957	0.348	30	107.3547	1.559	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH){2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	107.1650	0.000	1	107.1650	0.000	1	107.0957	0.348	30	107.3547	1.559	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO){1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<2>,2|H<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>}	108.3030	0.000	1	108.3030	0.000	1	107.0957	0.348	30	107.3547	1.559	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	107.6400	0.000	1	107.6400	0.000	1	107.0957	0.348	30	107.3547	1.559	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	106.8459	0.656	7	106.8459	0.431	7	107.0957	0.348	30	107.3547	1.559	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]O[5]CO)(C[5]C[5]C)(H){1|O<1>}	107.5930	0.000	1	107.5930	0.000	1	107.0957	0.348	30	107.3547	1.559	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<2>,2|H<1>}	C[5](C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>}	107.1960	0.500	5	107.1960	0.250	5	107.0957	0.348	30	107.3547	1.559	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:I-1:	C[5](C[5]C[5]I)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(I)	C[5](C[5]C[5]I)(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>,1|I<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(I){1|O<1>,2|C<3>}	106.5150	0.000	1	106.5150	0.000	1	106.5150	0.000	1	107.3547	1.559	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:1:	C[5]-3:C[5]-3:N-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]O)(NH3)	C[5](C[5]C[5]N)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]N)(O)	C[5](C[5]C[5]O)(C[5]O[5]O)(NH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]N)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]CH)(C[5]C[5]N)(O){1|O<1>}	111.6585	0.100	2	111.6585	0.010	2	111.6585	0.010	2	107.3547	1.559	33	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<2>,1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC){1|O<1>}	107.6420	0.000	1	107.6420	0.000	1	107.6420	0.000	1	110.7343	7.180	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:O-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C[5](C[5]C[5]C)(S[5]C[5])(O)	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(S[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH){1|O<1>}	112.3680	0.000	1	112.3680	0.000	1	112.2805	0.015	2	110.7343	7.180	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:O-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C[5](C[5]C[5]C)(S[5]C[5])(O)	C[5](C[5]S[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3){2|H<1>}	C[5](C[5]C[5]C)(S[5]C[5])(O){1|O<2>,2|H<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(OH){1|O<1>}	112.1930	0.000	1	112.1930	0.000	1	112.2805	0.015	2	110.7343	7.180	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H){2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCC){1|O<1>}	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2030	1.381	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC)	C[5](C[5]C[5]N)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC){1|O<1>}	107.6818	0.298	5	107.6818	0.089	5	107.6818	0.089	5	108.2030	1.381	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:3:	C[5]-3:C[5]-3:S-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(SC[6a]OO)	C[5](C[5]C[5]S)(O[5]C[5])(O)	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	C[5](C[5]C[5]C)(C[5]O[5]O)(SC[6a]OO){2|C<4>}	C[5](C[5]C[5]S)(O[5]C[5])(O){1|C<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|O<1>}	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	108.2030	1.381	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<4>}	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){1|O<1>}	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:N-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(NC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(NC){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|N<2>}	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:2:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(OB)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(OB){1|H<1>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<2>}	105.2620	0.076	2	105.2620	0.006	2	105.2620	0.006	2	105.5793	0.305	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:2:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH)	C[5](C[5]C[5]C)(O[5]C[5])(OC)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(OC){1|O<1>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|O<2>}	106.2140	0.000	1	106.2140	0.000	1	106.2140	0.000	1	105.5793	0.305	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>}	105.5360	0.000	1	105.5360	0.000	1	105.5360	0.000	1	106.2130	1.026	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]O[5]C)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]C)(C[5]O[5]O)(Br)	C[5](C[5]C[5]Br)(C[5]O[5]C)(CH3){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|Br<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(Br){1|C<3>}	105.7340	0.000	1	105.7340	0.000	1	105.7340	0.000	1	106.2130	1.026	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(CC[6a]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(CH3){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<3>}	107.7190	0.000	1	107.7190	0.000	1	107.7190	0.000	1	106.2130	1.026	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(SiCOO)	C[5](C[5]C[5]Si)(N[5]C[5])(CC[5]H)	C[5](C[5]C[5]Si)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(SiCOO){1|C<3>}	C[5](C[5]C[5]Si)(N[5]C[5])(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]Si)(C[5]N[5]C)(H){1|C<3>}	105.8630	0.000	1	105.8630	0.000	1	105.8630	0.000	1	106.2130	1.026	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CHO)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CHO){1|C<3>}	105.6610	0.000	1	105.6610	0.000	1	105.6610	0.000	1	105.6610	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	106.8507	0.991	18	106.8507	0.981	18	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	107.0405	1.000	8	107.0405	1.000	8	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]N)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]N){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	106.2490	0.229	2	106.2490	0.052	2	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	106.6133	0.529	8	106.6312	0.227	10	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	106.7030	0.264	2	106.6312	0.227	10	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	106.0391	0.711	8	106.0391	0.505	8	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){3|C<3>}	106.4420	0.157	2	106.4420	0.025	2	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]N)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]N){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	105.2117	0.501	6	105.2117	0.251	6	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]S)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]S){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	106.1181	0.252	11	106.1181	0.063	11	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[6]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[6]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	106.1290	0.000	1	106.1290	0.000	1	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CN[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CN[5a]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	105.8040	0.000	1	105.8040	0.000	1	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	106.7090	0.927	5	106.7090	0.859	5	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	106.5072	0.513	6	106.5072	0.263	6	106.4453	0.710	78	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-2:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(P[5]C[5])(CC[5]O)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>}	C[5](C[5]C[5]C)(P[5]C[5])(CC[5]O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>}	112.7895	0.083	2	112.7895	0.007	2	112.7895	0.007	2	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5]-3:C[5]-3:Si-4:	C[5]-3:O[5]-2:C-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]Si)(C[5]O[5]C)(SiC3)	C[5](C[5]C[5]Si)(O[5]C[5])(CC[6a]H)	C[5](C[5]C[5]Si)(C[5]O[5]O)(SiC3)	C[5](C[5]C[5]Si)(C[5]O[5]C)(SiC3){1|O<1>}	C[5](C[5]C[5]Si)(O[5]C[5])(CC[6a]H){1|Si<4>,1|O<1>}	C[5](C[5]C[5]Si)(C[5]O[5]O)(SiC3){1|C<3>}	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	106.6165	1.678	81	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]N)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(NCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]O[5]N)(CCHH){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(NCH){1|O<1>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|N<3>}	107.0750	0.000	1	107.0750	0.000	1	107.0750	0.000	1	106.4833	0.324	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3)	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(C[5]C[5]C)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3){1|C<4>,1|O<2>,2|C<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[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	106.1875	0.351	2	106.1875	0.124	2	106.1875	0.124	2	106.4833	0.324	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:3:	4:3:3:	C[5]-3:C[5]-3:S-4:	C[5]-3:O[5]-2:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]OO)	C[5](C[5]C[5]S)(O[5]C[5])(CCC)	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]OO){2|C<4>}	C[5](C[5]C[5]S)(O[5]C[5])(CCC){1|C<3>,2|C<4>}	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|C<3>}	109.5690	0.233	2	109.5690	0.054	2	109.5690	0.054	2	109.5690	0.054	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(PMoCC)	C[5](C[5]C[5]P)(N[5]C[5])(CC3)	C[5](C[5]C[5]P)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(PMoCC){1|C<4>}	C[5](C[5]C[5]P)(N[5]C[5])(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]P)(C[5]N[5]C)(H){1|C<4>}	106.5850	0.000	1	106.5850	0.000	1	106.5850	0.000	1	106.5850	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<4>}	105.8935	0.139	2	105.8935	0.019	2	105.8935	0.019	2	109.8105	20.585	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-2:Si-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(P[5]C[5])(SiC3)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>}	C[5](C[5]C[5]C)(P[5]C[5])(SiC3){1|Si<4>,1|C<4>}	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>}	113.7275	0.603	2	113.7275	0.364	2	113.7275	0.364	2	109.8105	20.585	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:4:	4:3:3:	C[5]-3:C[5]-3:S-4:	C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]OO)	C[5](C[5]C[5]S)(O[5]C[5])(CH3)	C[5](C[5]O[5]HH)(C[5]C[5]S)(CCH)	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]OO){2|H<1>}	C[5](C[5]C[5]S)(O[5]C[5])(CH3){1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]S)(CCH){1|C<4>}	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:2:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CC3)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(N[5]C[5])(CC3){1|O<2>,2|C<4>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3){1|C<4>}	106.2600	0.000	1	106.2600	0.000	1	106.2600	0.000	1	106.2600	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>}	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	106.2802	0.558	4	106.2802	0.311	4	106.2802	0.311	4	108.4955	11.965	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:H-1:	C[5](C[5]Se[5]H)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5a]Se[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(Se[5]C[5])(H)	C[5](C[5]Se[5]H)(C[5]C[5]H)(CCHH){1|C<3>}	C[5](C[5]C[5a]Se[5])(C[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>}	C[5](C[5]C[5]C)(Se[5]C[5])(H){1|C<3>,1|H<1>}	112.9260	0.030	2	112.9260	0.001	2	112.9260	0.001	2	108.4955	11.965	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]Br)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(Br)	C[5](C[5]C[5]C)(N[5]C[5])(CCH)	C[5](C[5]C[5]Br)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(Br){1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CCH){1|Br<1>,1|C<3>}	105.0220	0.000	1	105.0220	0.000	1	105.0220	0.000	1	105.0220	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(CC3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	108.4270	0.000	1	108.1257	0.060	6	108.1257	0.060	6	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(CC3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	108.1527	0.110	4	108.1257	0.060	6	108.1257	0.060	6	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(CC3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|P<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|P<4>}	107.7160	0.000	1	108.1257	0.060	6	108.1257	0.060	6	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CC[6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	109.5860	0.117	2	109.5860	0.014	2	109.5860	0.014	2	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Cl-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|Cl<1>,1|O<1>}	106.3480	0.000	1	106.3480	0.000	1	106.3480	0.000	1	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CC3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<4>,1|H<1>}	107.6820	0.000	1	107.0274	0.168	5	107.8202	1.543	9	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CC3){2|C<3>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	106.8637	0.213	4	107.0274	0.168	5	107.8202	1.543	9	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CCHH){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	107.0440	0.000	1	107.0440	0.000	1	107.8202	1.543	9	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CHHN)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CHHN){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	109.6710	0.000	2	109.6710	0.000	2	107.8202	1.543	9	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CHHO)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CHHO){2|C<3>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	108.8590	0.000	1	108.8590	0.000	1	107.8202	1.543	9	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|H<1>}	107.2620	0.320	2	107.2620	0.102	2	107.2620	0.102	2	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]H)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(CH3){1|Ru<6>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(H){1|Ru<6>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]C)(H){2|H<1>}	104.1147	0.160	3	104.1147	0.026	3	104.1147	0.026	3	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(CH3)	C[5](N[5]C[6]N[5])(C[5]C[5]C)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(CH3){1|Fe<6>,1|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]N[5]Fe)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	105.8457	0.767	4	105.8457	0.589	4	104.3939	0.568	27	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(CH3){2|Pd<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]C)(H){1|Pd<4>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]C)(H){1|Pd<4>,1|H<1>}	104.1725	0.352	22	104.1725	0.124	22	104.3939	0.568	27	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(CH3)	C[5](N[5]N[5]Ru)(C[5]C[5]C)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(CH3){2|Ru<6>}	C[5](N[5]N[5]Ru)(C[5]C[5]C)(H){1|Ru<6>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]C)(H){1|Ru<6>,1|H<1>}	103.4550	0.000	1	103.4550	0.000	1	104.3939	0.568	27	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	107.8170	0.158	2	107.8170	0.025	2	107.8170	0.025	2	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(PC[6a]2Au)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H)	C[5](C[5]C[5,5]H)2(PC[6a]2Au){2|P<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	108.9690	0.000	1	108.9690	0.000	1	109.0670	0.019	2	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(PC[6a]2S)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H)	C[5](C[5]C[5,5]H)2(PC[6a]2S){2|P<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]P)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	109.1650	0.000	1	109.1650	0.000	1	109.0670	0.019	2	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)2(PC[6a]2O)	C[5](C[5]C[5]C)(C[5]C[5]P)(Br)	C[5](C[5]C[5]C)(C[5]C[5]P)(Br)	C[5](C[5]C[5]Br)2(PC[6a]2O){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]P)(Br){1|Br<1>,1|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]P)(Br){1|Br<1>,1|C<3>}	105.1470	0.000	1	105.1470	0.000	1	105.1470	0.000	1	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:Br-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]Br)(C[5]C[5]H)(PC[6a]2O)	C[5](C[5]C[5]C)(C[5]C[5]P)(Br)	C[5](C[5]C[5]C)(C[5]C[5]P)(H)	C[5](C[5]C[5]Br)(C[5]C[5]H)(PC[6a]2O){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]P)(Br){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]P)(H){1|Br<1>,1|C<3>}	106.6960	0.000	1	106.6960	0.000	1	106.6960	0.000	1	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(PC3)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(PC3){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){2|H<1>}	106.9880	0.000	1	106.9880	0.000	1	107.5438	0.377	14	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(PC[6a]2C)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(PC[6a]2C){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){2|H<1>}	107.3763	0.226	3	107.3763	0.051	3	107.5438	0.377	14	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(PC[6a]2N)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(PC[6a]2N){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){2|H<1>}	107.4515	0.059	2	107.4515	0.003	2	107.5438	0.377	14	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(PC[6a]2P)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]P)2(H)	C[5](C[5]C[5]H)2(PC[6a]2P){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]P)2(H){2|H<1>}	108.0930	0.288	2	108.0930	0.083	2	107.5438	0.377	14	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(PC[6a]3)	C[5](C[5]C[5]C)(C[5]C[5]P)(H)	C[5](C[5]C[5]C)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(PC[6a]3){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]P)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]P)(H){1|C<3>,1|H<1>}	108.0190	0.000	1	108.0190	0.000	1	107.5438	0.377	14	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(PC[6a]3)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]C)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)2(PC[6a]3){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]P)(H){2|H<1>}	107.9050	0.000	1	107.9050	0.000	1	107.5438	0.377	14	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(PC[6a]3)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]P)2(H)	C[5](C[5]C[5]H)2(PC[6a]3){1|H<1>,1|P<4>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|H<1>,1|P<4>}	C[5](C[5]C[5]P)2(H){2|H<1>}	107.3708	1.036	4	107.3708	1.074	4	107.5438	0.377	14	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:P-4:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(PC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O)	C[5](C[5]C[5]P)(C[5]N[5]O)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(PC[6a]3){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O){2|C<3>,2|O<1>}	C[5](C[5]C[5]P)(C[5]N[5]O)(O){1|C<3>,1|O<1>}	109.2480	0.561	2	109.2480	0.315	2	109.2480	0.315	2	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:S-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(SC3)	C[5](C[5]C[5]H)(C[5]C[5]S)(H)	C[5](C[5]C[5]H)(C[5]C[5]S)(H)	C[5](C[5]C[5]H)2(SC3){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]S)(H){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]S)(H){2|H<1>}	105.1245	1.586	2	105.1245	2.516	2	106.6807	8.523	3	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:S-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(SC[6a]OO)	C[5](C[5]C[5]C)(C[5]C[5]S)(H)	C[5](C[5]C[5]C)(C[5]C[5]S)(H)	C[5](C[5]C[5]H)2(SC[6a]OO){2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]S)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]S)(H){1|C<3>,1|H<1>}	109.7930	0.000	1	109.7930	0.000	1	106.6807	8.523	3	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(SiC3)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(SiC3){2|H<1>}	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){2|H<1>}	105.7270	0.000	1	105.7270	0.000	1	105.5190	0.039	7	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(SiC3)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]Si)2(H)	C[5](C[5]C[5]H)2(SiC3){1|Si<4>,1|H<1>}	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){1|Si<4>,1|H<1>}	C[5](C[5]C[5]Si)2(H){2|H<1>}	105.4778	0.223	4	105.4778	0.050	4	105.5190	0.039	7	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(SiCCO)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]Si)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(SiCCO){2|H<1>}	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]C[5]Si)(C[5]C[5]H)(H){2|H<1>}	105.4975	0.180	2	105.4975	0.033	2	105.5190	0.039	7	106.3238	3.604	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){2|H<1>}	107.2050	0.000	1	107.2050	0.000	1	107.7880	0.199	4	107.5862	0.222	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	C[5](C[5]C[5]C)2(CCH){2|H<1>}	108.2790	0.000	1	108.2790	0.000	1	107.7880	0.199	4	107.5862	0.222	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|C<3>}	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(H){4|C<3>}	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	107.7560	0.000	1	107.7560	0.000	1	107.7880	0.199	4	107.5862	0.222	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	C[5](C[5]C[5]C)2(COO){1|C<3>,1|H<1>}	107.9120	0.000	1	107.9120	0.000	1	107.7880	0.199	4	107.5862	0.222	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(PC[6a]3)	C[5](C[5]C[5]H)(C[5]C[5]P)(H)	C[5](C[5]C[5]H)(C[5]C[5]P)(CCC)	C[5](C[5]C[5]C)(C[5]C[5]H)(PC[6a]3){2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]P)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]P)(CCC){2|H<1>}	107.1825	0.152	2	107.1825	0.023	2	107.1825	0.023	2	107.5862	0.222	6	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCOY)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCOY)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCOY){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCOY){2|H<1>}	105.4545	1.135	2	105.4545	1.288	2	105.4545	1.288	2	110.3618	8.256	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	105.4000	0.000	1	105.4000	0.000	1	105.4000	0.000	1	110.3618	8.256	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	108.5345	0.059	2	108.5345	0.003	2	108.5345	0.003	2	110.3618	8.256	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|C<3>}	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>}	113.3960	0.058	2	113.3960	0.003	2	113.2120	0.058	4	110.3618	8.256	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|H<1>}	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|H<1>}	113.0280	0.187	2	113.0280	0.035	2	113.2120	0.058	4	110.3618	8.256	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:N-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NAuCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PAuCC)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NAuCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PAuCC){2|C<3>,2|H<1>}	111.8870	0.000	1	111.8870	0.000	1	111.7776	0.050	5	110.3618	8.256	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:N-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NIrCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NIrCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,2|H<1>}	111.7490	0.000	1	111.7490	0.000	1	111.7776	0.050	5	110.3618	8.256	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:N-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NRhCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NRhCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC){2|C<3>,2|H<1>}	111.7507	0.304	3	111.7507	0.092	3	111.7776	0.050	5	110.3618	8.256	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:P-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]2Ru)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(PRuCC)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]2Ru){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(PRuCC){2|C<3>,2|H<1>}	110.6470	0.000	1	110.6470	0.000	1	110.3370	0.192	2	110.3618	8.256	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:C[5]-3:P-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]RuH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(PRuCC)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]RuH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(PRuCC){2|C<3>,2|H<1>}	110.0270	0.000	1	110.0270	0.000	1	110.3370	0.192	2	110.3618	8.256	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	S[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(CC3)	C[5](C[5]C[5]C)(C[5]S[5]H)(H)	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(CC3){1|H<1>,2|O<1>}	C[5](C[5]C[5]C)(C[5]S[5]H)(H){1|H<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]C)(H){2|H<1>}	112.3580	0.000	1	112.3580	0.000	1	112.3580	0.000	1	112.3580	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC){1|C<4>,1|O<1>}	105.9950	0.000	1	105.9950	0.000	1	105.9950	0.000	1	106.1625	0.056	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC){1|C<3>,1|O<1>}	106.3300	0.000	1	106.3300	0.000	1	106.3300	0.000	1	106.1625	0.056	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	108.6400	0.000	1	108.6400	0.000	1	107.8090	1.127	3	107.9572	0.617	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	107.3935	1.104	2	107.3935	1.218	2	107.8090	1.127	3	107.9572	0.617	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]N[5]CO)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|O<2>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(COO){1|C<4>,1|O<1>}	108.0220	0.000	1	108.0220	0.000	1	108.0220	0.000	1	107.9572	0.617	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|O<1>}	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	107.9572	0.617	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO){1|H<1>,1|O<1>}	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5])(C[5]C[5]C)(OC)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3){1|C<3>}	C[5](C[5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<2>}	106.2210	0.000	1	106.2210	0.000	1	106.2210	0.000	1	106.9682	0.271	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:C-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(PC[6a]3)	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CC)	C[5](C[5]C[5]P)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(PC[6a]3){1|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CC){1|O<1>,2|C<3>}	C[5](C[5]C[5]P)(O[5]C[5])(O){1|C<2>,1|C<3>}	107.2173	0.183	3	107.2173	0.034	3	107.2173	0.034	3	106.9682	0.271	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CCHP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CCHP){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	107.3100	0.095	2	107.3100	0.009	2	108.0737	0.931	4	107.1761	2.804	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CCHP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OPd)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CCHP){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OPd){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	108.8375	0.672	2	108.8375	0.452	2	108.0737	0.931	4	107.1761	2.804	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	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])	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>}	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[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<3>}	107.8290	0.000	1	107.8290	0.000	1	107.8290	0.000	1	107.1761	2.804	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH){1|N<3>,2|C<3>}	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[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>}	104.2250	0.000	1	104.2250	0.000	1	104.2250	0.000	1	107.1761	2.804	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	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])	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	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[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>}	105.8840	0.000	1	105.8840	0.000	1	105.8840	0.000	1	107.1761	2.804	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:N-4:	C[5]-3:C[5]-3:C-2:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)2(NH3)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)(C[5]C[5]N)(CN)	C[5](C[5]C[5]C)2(NH3){2|C<2>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){2|C<2>}	C[5](C[5]C[5]C)(C[5]C[5]N)(CN){2|C<2>}	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]N)(NCH)	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH){1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]N)(NCH){1|C<3>}	104.5610	0.000	1	104.5610	0.000	1	104.5610	0.000	1	108.8605	36.971	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:P[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3){1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C){2|H<1>,3|C<3>}	113.1600	0.000	1	113.1600	0.000	1	113.1600	0.000	1	108.8605	36.971	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	106.0953	0.311	7	106.0953	0.097	7	106.4938	0.388	20	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	106.6485	1.187	2	106.6485	1.410	2	106.4938	0.388	20	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	105.8100	0.000	1	105.8100	0.000	1	106.4938	0.388	20	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	106.7385	0.221	4	106.7385	0.049	4	106.4938	0.388	20	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	106.8578	0.718	6	106.8578	0.515	6	106.4938	0.388	20	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	107.6820	0.000	1	106.5105	2.745	2	106.4843	1.374	3	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){2|C<4>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	105.3390	0.000	1	106.5105	2.745	2	106.4843	1.374	3	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){2|C<4>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	106.4320	0.000	1	106.4320	0.000	1	106.4843	1.374	3	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	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[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	106.4775	0.689	2	105.8268	0.459	6	105.9722	0.276	13	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	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[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	105.5015	0.429	4	105.8268	0.459	6	105.9722	0.276	13	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	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[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	106.1990	0.160	4	106.1990	0.026	4	105.9722	0.276	13	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	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[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	105.5230	0.000	1	105.5230	0.000	1	105.9722	0.276	13	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3){1|N<3>,2|C<3>}	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[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3){1|N<3>,2|C<3>}	106.1795	0.565	2	106.1795	0.319	2	105.9722	0.276	13	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	105.8405	0.006	2	105.8405	0.000	2	106.1428	0.301	14	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	105.8747	0.505	3	106.1932	0.336	12	106.1428	0.301	14	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	106.2993	0.589	9	106.1932	0.336	12	106.1428	0.301	14	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH){2|C<3>,2|C<4>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	105.2730	0.130	3	105.2730	0.017	3	105.3953	0.071	4	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|O<2>}	105.7620	0.000	1	105.7620	0.000	1	105.3953	0.071	4	106.1953	0.431	54	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]C)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CCH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	107.2750	0.000	1	107.2750	0.000	1	107.2750	0.000	1	107.3160	0.003	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(PC[6a]3)	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CCH)	C[5](C[5]C[5]P)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(PC[6a]3){1|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CCH){1|O<1>,2|C<3>}	C[5](C[5]C[5]P)(O[5]C[5])(O){2|C<3>}	107.3570	0.000	1	107.3570	0.000	1	107.3570	0.000	1	107.3160	0.003	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3){1|O<1>,2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|C<3>,1|O<1>}	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(C[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	109.3845	0.360	2	109.3845	0.130	2	109.3845	0.130	2	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHN){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	111.0955	0.233	2	111.0955	0.054	2	111.0955	0.054	2	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	109.8040	0.000	1	109.8040	0.000	1	108.6090	0.638	4	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	108.1420	0.000	1	108.1420	0.000	1	108.6090	0.638	4	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	108.2870	0.000	1	108.2870	0.000	1	108.6090	0.638	4	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	108.2030	0.000	1	108.2030	0.000	1	108.6090	0.638	4	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	105.9290	0.000	1	105.9290	0.000	1	107.0910	0.339	9	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	106.7100	0.110	2	106.7100	0.012	2	107.0910	0.339	9	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	107.3280	0.133	2	107.3280	0.018	2	107.0910	0.339	9	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	107.4535	0.368	4	107.4535	0.136	4	107.0910	0.339	9	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|H<1>}	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<2>}	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(O){1|H<1>,3|C<3>}	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(PC[6a]3)	C[5](C[5]C[6a]N[5])(C[5]C[5]P)(CCH)	C[5](C[5]C[5]P)(N[5]C[5]S)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(PC[6a]3){1|C<3>,1|S<4>}	C[5](C[5]C[6a]N[5])(C[5]C[5]P)(CCH){1|O<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5]P)(N[5]C[5]S)(O){2|C<3>}	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:Si-4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CSiH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(SiC3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CSiH){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H){1|H<1>,3|C<3>}	107.7950	0.148	2	107.7950	0.022	2	107.7950	0.022	2	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si)	C[5](C[5]C[5]Si)2(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3){1|Si<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si){1|Si<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5]Si)2(O){2|C<3>}	104.9530	0.495	2	104.9530	0.245	2	104.9530	0.245	2	107.9767	2.334	27	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|C<2>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CN){1|C<3>,1|H<1>}	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	106.7680	1.095	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]N[5]O)(OS)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH){1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]N[5]O)(OS){1|C<3>,1|H<1>}	106.0280	0.000	1	106.0280	0.000	1	106.0280	0.000	1	106.7680	1.095	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){1|H<1>,3|C<3>}	109.5280	0.000	1	109.5280	0.000	1	109.5045	0.001	2	106.3508	6.846	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H){1|H<1>,3|C<3>}	109.4810	0.000	1	109.4810	0.000	1	109.5045	0.001	2	106.3508	6.846	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CF3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO)	C[5](C[5]C[5]C)2(CF3){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN){4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO){4|C<3>}	107.9500	0.000	1	107.9500	0.000	1	107.8860	0.008	2	106.3508	6.846	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]C)2(CCO)	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){2|C<3>}	C[5](C[5]C[5]C)2(CCO){1|C<3>,1|H<1>}	107.8220	0.000	1	107.8220	0.000	1	107.8860	0.008	2	106.3508	6.846	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5]C)2(CCC){2|C<3>}	106.7220	0.057	2	106.7220	0.003	2	106.7220	0.003	2	106.3508	6.846	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(CH3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(CH3){1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|H<1>,4|C<3>}	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	106.3508	6.846	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2{1|I<1>,4|C<3>}	C[5](C[5]C[5]C)2(COO){2|C<3>}	108.3960	0.703	2	108.3960	0.494	2	108.3960	0.494	2	106.3508	6.846	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]C)	C[5](C[5]C[6a]N[5])2(CH3){1|Cu<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]H){1|Cu<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]C){3|C<3>,3|H<1>}	104.7230	0.000	1	104.7230	0.000	1	104.7230	0.000	1	106.3508	6.846	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CCN)	C[5](N[5]N[5]Pt)(C[5]C[5]C)(CCN)	C[5](C[5]N[5]C)2(CH3){1|Cu<4>,1|Pt<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CCN){1|Pt<4>,1|C<3>}	C[5](N[5]N[5]Pt)(C[5]C[5]C)(CCN){1|Cu<4>,1|C<3>}	103.1687	0.419	3	103.1687	0.176	3	103.0478	0.136	5	106.3508	6.846	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CCN)	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CCN)	C[5](C[5]N[5]C)2(CH3){2|Zn<5>}	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CCN){1|Zn<5>,1|C<3>}	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CCN){1|Zn<5>,1|C<3>}	102.8665	0.291	2	102.8665	0.084	2	103.0478	0.136	5	106.3508	6.846	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(PC[6a]CC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]P)	C[5](C[5]C[6a]C[5])2(PC[6a]CC){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]P){2|H<1>,4|C<3>}	107.0010	0.000	1	107.0010	0.000	1	107.0010	0.000	1	106.3508	6.846	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:P[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(P[5]C[5]O)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|O<2>,1|P<3>,2|C<3>}	C[5](C[5]C[5]P[5])(C[5]C[5]C)(P[5]C[5]O){1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	114.0192	0.235	4	114.0192	0.055	4	114.0192	0.055	4	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	108.7750	0.000	1	108.7750	0.000	1	108.5590	0.115	3	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]C)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]C){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	108.1680	0.000	1	108.1680	0.000	1	108.5590	0.115	3	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	108.7340	0.000	1	108.7340	0.000	1	108.5590	0.115	3	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[5]O)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Si<4>,1|C<3>}	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[5]O){1|Si<4>,1|C<4>}	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){2|C<3>}	113.9262	0.845	4	113.9262	0.714	4	113.9262	0.714	4	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:P[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]C)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	114.3570	0.000	1	114.3570	0.000	1	114.5302	0.176	5	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:P[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]O)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|O<2>,1|P<3>,2|C<3>}	114.5735	0.471	4	114.5735	0.222	4	114.5302	0.176	5	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:P[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(P[5]C[5]Sn)(C[5]C[5]C)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Sn<4>,3|C<3>}	C[5](C[6a]C[6a]2)(P[5]C[5]Sn)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Sn<4>,1|C<3>}	113.6710	0.000	1	113.6710	0.000	1	113.6710	0.000	1	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Co)(C[5]C[5]C)(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Co<4>,1|O<1>}	C[5](N[5]C[5]Co)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Co<4>,1|C<3>}	107.9980	0.000	1	107.9980	0.000	1	107.1211	0.183	11	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Cu<4>,1|O<1>}	C[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Cu<4>,1|C<3>}	107.1352	0.317	4	107.1352	0.100	4	107.1211	0.183	11	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]C)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ni<4>,1|O<1>}	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]C){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Ni<4>,1|C<3>}	106.6090	0.000	1	106.6090	0.000	1	107.1211	0.183	11	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ni<4>,1|O<1>}	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Ni<4>,1|C<3>}	106.8830	0.355	3	106.8830	0.126	3	107.1211	0.183	11	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Pd<4>,1|O<1>}	C[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Pd<4>,1|C<3>}	107.2675	0.168	2	107.2675	0.028	2	107.1211	0.183	11	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3)	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3)	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3){1|C<4>,1|P<3>,2|C<3>}	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	114.0050	0.058	2	114.0547	0.009	3	114.0547	0.009	3	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3)	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3)	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3){1|C<4>,1|P<3>,2|C<3>}	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	114.1540	0.000	1	114.0547	0.009	3	114.0547	0.009	3	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>}	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(CHN){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|C<3>}	113.2910	0.000	1	113.2910	0.000	1	113.3150	0.001	2	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(COW)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>}	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(COW){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|C<3>}	113.3390	0.000	1	113.3390	0.000	1	113.3150	0.001	2	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:Si-4:	C[6a]-3:C[5]-3:P[5]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[6a]P[5])(C[5]C[5]Si)(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]Si)(P[5]C[5]Sr)	C[5](C[5]C[6a]P[5])(C[5]C[5]Si)(SiC3)	C[5](C[5]C[6a]P[5])(C[5]C[5]Si)(SiC3){1|Sr<6>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]Si)(P[5]C[5]Sr){1|Si<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]Si)(SiC3){1|Sr<6>,3|C<3>}	111.7965	0.909	2	111.7965	0.826	2	111.7965	0.826	2	111.2714	10.790	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H){1|O<2>,3|C<3>}	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(PC[6a]3)	C[5](C[5]C[5]C)(C[5]C[5]P)(COO)	C[5](C[5]C[5]CO)(C[5]C[5]P)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(PC[6a]3){1|O<2>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]P)(COO){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]P)(O){2|C<3>}	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|C<3>,1|O<1>}	112.2250	0.000	1	112.2250	0.000	1	112.2250	0.000	1	112.2250	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>}	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CCC)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CCC){1|C<3>,1|C<4>}	107.4350	0.000	1	107.4350	0.000	1	106.6994	0.244	11	106.6994	0.244	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	106.9030	0.000	1	106.9030	0.000	1	106.6994	0.244	11	106.6994	0.244	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CCC)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CCC){1|C<3>,1|C<4>}	106.6900	0.000	1	106.6900	0.000	1	106.6994	0.244	11	106.6994	0.244	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CCH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CCH){1|C<3>,1|C<4>}	107.6020	0.000	1	107.6020	0.000	1	106.6994	0.244	11	106.6994	0.244	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	106.2305	0.175	4	106.2305	0.031	4	106.6994	0.244	11	106.6994	0.244	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	106.7137	0.194	3	106.7137	0.037	3	106.6994	0.244	11	106.6994	0.244	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:2:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-2:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C[5](C[5]C[5]C)(P[5]C[5])(CCHH)	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<4>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<4>}	C[5](C[5]C[5]C)(P[5]C[5])(CCHH){2|C<4>}	113.7039	0.183	8	113.7039	0.034	8	113.7039	0.034	8	113.7039	0.034	8	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5]-3:C-4:	N[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O)	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO){2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O){1|C<4>,3|C<3>}	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](N[5,6a]C[5,6a]B[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){1|B<3>,1|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,1|H<1>,1|O<1>}	C[5](N[5,6a]C[5,6a]B[6a])(C[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>}	107.8590	0.000	1	107.8590	0.000	1	108.5335	0.910	2	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	109.2080	0.000	1	109.2080	0.000	1	108.5335	0.910	2	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	109.5745	0.443	2	109.5745	0.197	2	108.2508	0.302	19	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	108.0362	0.376	4	108.0362	0.141	4	108.2508	0.302	19	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|O<1>}	108.0990	0.337	6	108.0990	0.113	6	108.2508	0.302	19	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|O<1>}	107.8310	0.021	2	107.8310	0.000	2	108.2508	0.302	19	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	108.3095	0.114	2	108.3095	0.013	2	108.2508	0.302	19	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	108.0250	0.000	1	108.0250	0.000	1	108.2508	0.302	19	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|O<1>}	108.2855	0.042	2	108.2855	0.002	2	108.2508	0.302	19	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Co)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Co<4>,1|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Co<4>,1|O<1>}	C[5](N[5]C[5]Co)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	106.8880	0.000	1	106.8880	0.000	1	107.1128	0.486	11	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Cu)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Cu<4>,1|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Cu<4>,1|O<1>}	C[5](N[5]C[5]Cu)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	106.5515	0.482	4	106.5515	0.232	4	107.1128	0.486	11	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Ni)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Ni<4>,1|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ni<4>,1|O<1>}	C[5](N[5]C[5]Ni)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	107.8410	0.442	4	107.8410	0.196	4	107.1128	0.486	11	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Pd)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Pd<4>,1|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Pd<4>,1|O<1>}	C[5](N[5]C[5]Pd)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	106.8915	0.217	2	106.8915	0.047	2	107.1128	0.486	11	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]C[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	107.9237	0.684	35	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(N[5]N[5]C)(OH){1|C<4>,1|H<1>}	105.1740	0.281	2	105.1740	0.079	2	105.1740	0.079	2	105.7172	0.724	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)	C[5](N[5]N[5]Re)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3){1|Re<6>,1|C<3>}	C[5](N[5]N[5]Re)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>}	C[5](C[5]C[5]C)(N[5]N[5]C)(OH){1|Re<6>,1|C<4>}	105.2120	0.000	1	105.2120	0.000	1	105.2120	0.000	1	105.7172	0.724	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:2:	C[5]-3:C[5]-3:Si-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-2:	C[5](C[5]C[5,6a]C)2(SiC[6a]3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CN)	C[5](C[5]C[5,6a]C)2(SiC[6a]3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH){1|C<2>,1|H<1>,2|C<3>}	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>}	106.5130	0.840	2	106.5130	0.706	2	106.5130	0.706	2	105.7172	0.724	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CC[6a]H)	C[5](C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CC[6a]H){2|C<4>}	107.5325	0.286	2	107.5325	0.082	2	107.5325	0.082	2	110.2023	8.985	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH){1|C<4>,1|O<1>}	108.2820	0.000	1	108.2820	0.000	1	108.0875	0.076	2	110.2023	8.985	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH){1|C<4>,1|O<1>}	107.8930	0.000	1	107.8930	0.000	1	108.0875	0.076	2	110.2023	8.985	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(P[5]C[5]2)(COO)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(P[5]C[5]2)(COO){2|C<4>,3|C<3>}	113.3525	0.144	2	113.3525	0.021	2	113.3525	0.021	2	110.2023	8.985	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](P[5]C[5]Sn)(C[5]C[5]C)(CCN)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Sn<4>,1|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Sn<4>,3|C<3>}	C[5](P[5]C[5]Sn)(C[5]C[5]C)(CCN){1|C<3>,1|C<4>}	113.4710	0.000	1	113.4710	0.000	1	113.4710	0.000	1	110.2023	8.985	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	108.1875	0.349	16	108.1875	0.122	16	108.0290	0.723	416	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	107.7677	0.367	16	107.7677	0.135	16	108.0290	0.723	416	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	108.0809	0.430	8	108.0809	0.185	8	108.0290	0.723	416	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	C[5](C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){2|C<4>}	107.8005	0.008	2	107.8005	0.000	2	108.0290	0.723	416	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|P<4>}	108.9027	0.303	10	108.9027	0.092	10	108.0290	0.723	416	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	C[5](C[5]C[5]C)2(CH3){2|C<4>}	108.0012	0.331	4	108.0012	0.110	4	108.0290	0.723	416	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CH3){2|C<4>}	109.3770	0.311	2	108.0051	0.793	358	108.0290	0.723	416	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){2|C<4>}	107.9974	0.887	356	108.0051	0.793	358	108.0290	0.723	416	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>}	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>}	108.8375	0.060	2	108.8375	0.004	2	108.0290	0.723	416	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(PCCN)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|P<4>}	C[5](C[5]C[5]C)2(PCCN){2|C<4>}	107.3250	0.075	2	107.3250	0.006	2	107.4813	0.169	10	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(PC[5]CC)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|P<4>}	C[5](C[5]C[5]C)2(PC[5]CC){2|C<4>}	107.7818	0.329	4	107.7818	0.109	4	107.4813	0.169	10	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(PC[6a]2C)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|P<4>}	C[5](C[5]C[5]C)2(PC[6a]2C){2|C<4>}	107.2590	0.442	4	107.2590	0.195	4	107.4813	0.169	10	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(P[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)(P[5]C[5]C)(CH3){2|C<4>}	114.2680	0.291	2	114.2680	0.085	2	114.2680	0.085	2	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-3:Si-4:	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(P[5]C[5]C)(SiC3)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Si<4>,1|C<3>}	C[5](C[5]C[5]C)(P[5]C[5]C)(SiC3){1|C<3>,1|C<4>}	115.3750	1.074	4	115.3750	1.153	4	115.3750	1.153	4	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[5]Tm)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Tm<14>,1|C<4>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Tm<14>,1|C<4>}	C[5](P[5]C[5]Tm)(C[5]C[5]C)(CC3){2|C<4>}	114.2630	0.853	2	114.2630	0.727	2	114.2630	0.727	2	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[5]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(CC[5]HH){2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	105.8198	0.382	26	105.8198	0.146	26	105.8580	0.174	45	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[5a]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(CC[5a]HH){2|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	105.9624	0.473	7	105.9624	0.223	7	105.8580	0.174	45	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](C[5]C[5]C)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(CH3){1|B<4>,1|W<7>}	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	C[5](C[5]C[5]C)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	105.8797	0.483	12	105.8797	0.234	12	105.8580	0.174	45	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Mo)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CCHH){1|Mo<6>,1|B<4>}	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	C[5](N[5]N[5]Mo)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	105.0093	0.769	6	105.0093	0.592	6	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CCHH){1|Ni<6>,1|B<4>}	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	105.3473	0.298	3	105.3473	0.089	3	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Sm)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CCHH){1|Sm<6>,1|B<4>}	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Sm<6>,1|C<4>}	C[5](N[5]N[5]Sm)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	104.7650	0.425	3	104.7650	0.180	3	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[5]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	105.0262	0.665	6	105.0262	0.442	6	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[5a]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CC[5a]HH){1|Zn<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	105.7390	0.000	1	105.7390	0.000	1	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CC[6a]HH){1|Co<6>,1|B<4>}	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Co<6>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	105.6517	0.449	6	105.6517	0.202	6	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CC[6a]HH){1|Fe<6>,1|B<4>}	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	105.6663	0.199	3	105.6663	0.040	3	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Ca)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Ca<6>,1|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Ca<6>,1|C<4>}	C[5](N[5]N[5]Ca)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	104.9765	0.221	6	104.9765	0.049	6	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Cu<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CH3){2|C<4>}	105.6643	0.989	12	105.6643	0.977	12	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Mg)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Mg<6>,1|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	C[5](N[5]N[5]Mg)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	105.1870	0.000	1	105.1870	0.000	1	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](N[5]N[5]Sr)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Sr<6>,1|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Sr<6>,1|C<4>}	C[5](N[5]N[5]Sr)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	104.9200	0.147	3	104.9200	0.022	3	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Co<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	105.6703	0.240	4	105.6703	0.058	4	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Ni<6>,1|H<1>}	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	105.5952	0.456	4	105.5952	0.208	4	105.3455	0.443	58	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[6a]CH)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[6a]CH){1|C<3>,1|C<4>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[6a]HH)	C[5](N[5]N[5]Pd)(C[5]C[5]C)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CC[6a]HH){2|Pd<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	104.3125	2.749	2	104.3125	7.554	2	104.5274	3.744	5	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CF3)	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CF3)	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CF3)	C[5](C[5]N[5]C)2(CF3){2|Cu<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CF3){1|Cu<3>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CF3){1|Cu<3>,1|C<4>}	103.5705	0.086	2	103.5705	0.007	2	104.5274	3.744	5	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C[5](N[5]N[5]Re)(C[5]C[5]C)(CC3)	C[5](N[5]N[5]Re)(C[5]C[5]C)(CC3)	C[5](C[5]N[5]C)2(CH3){1|Re<5>}	C[5](N[5]N[5]Re)(C[5]C[5]C)(CC3){1|C<4>}	C[5](N[5]N[5]Re)(C[5]C[5]C)(CC3){1|C<4>}	106.8710	0.000	1	106.8710	0.000	1	104.5274	3.744	5	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|B<4>,1|C<4>}	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3){1|Fe<12>,4|C<4>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|B<4>,1|C<4>}	114.3380	0.156	2	113.8835	0.407	4	113.8835	0.407	4	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|B<4>,1|C<4>}	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3){1|Li<8>,4|C<4>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|B<4>,1|C<4>}	113.4290	0.608	2	113.8835	0.407	4	113.8835	0.407	4	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(PCCN)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)2(PCCN){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	107.4730	0.000	1	107.4730	0.000	1	107.2206	0.241	5	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(PC[5]CC)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)2(PC[5]CC){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	106.8745	0.702	2	106.8745	0.493	2	107.2206	0.241	5	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(PC[6a]2C)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)2(PC[6a]2C){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	107.4405	0.269	2	107.4405	0.073	2	107.2206	0.241	5	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:S-4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(SNOO)	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(CH3)	C[5](N[5]N[5]Pd)(C[5]C[5]S)(CH3)	C[5](C[5]N[5]C)2(SNOO){1|Pd<4>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C[5](N[5]N[5]Pd)(C[5]C[5]S)(CH3){1|C<3>,1|C<4>}	107.2310	0.000	1	107.2310	0.000	1	107.2310	0.000	1	107.6740	2.795	553	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-4:C[5]-3:	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(P[5]C[5]PdC)(C[5]C[5]C)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,1|P<4>,2|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,3|C<3>}	C[5](C[5]C[5]P[5])(P[5]C[5]PdC)(C[5]C[5]C){3|C<3>,3|C<4>}	113.2263	1.054	4	113.2263	1.110	4	113.2263	1.110	4	114.2697	1.228	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	3:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:P[5]-4:C[5]-3:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(P[5]C[5]CS)(C[5]C[5]C)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|S<1>,3|C<3>}	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|C<3>}	C[5](C[6a]C[6a]2)(P[5]C[5]CS)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	114.9653	0.303	6	114.9653	0.092	6	114.9653	0.092	6	114.2697	1.228	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]AlC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Al<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Al<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]AlC)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	106.6040	0.137	2	106.6040	0.019	2	106.6040	0.019	2	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	113.1810	0.000	1	113.1810	0.000	1	110.9890	9.610	2	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	108.7970	0.000	1	108.7970	0.000	1	110.9890	9.610	2	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3)	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|C<4>,1|W<6>}	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|W<6>,2|H<1>}	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(H){2|C<3>,2|C<4>}	113.7650	0.000	1	113.7650	0.000	1	113.9164	0.396	16	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(H){1|C<4>,3|C<3>}	116.0990	0.000	1	116.0990	0.000	1	113.9164	0.396	16	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|W<6>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(H){1|C<4>,3|C<3>}	113.8123	0.273	4	113.8123	0.075	4	113.9164	0.396	16	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](P[5]C[5]CS)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<4>,1|H<1>,1|S<1>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<4>,1|H<1>,1|S<1>}	C[5](P[5]C[5]CS)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	113.8702	0.135	4	113.8702	0.018	4	113.9164	0.396	16	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](P[5]C[5]ClW)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Cl<1>,1|H<1>,1|W<6>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Cl<1>,1|H<1>,1|W<6>}	C[5](P[5]C[5]ClW)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	113.5375	0.524	2	113.5375	0.275	2	113.9164	0.396	16	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](P[5]C[5]Mn2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Mn<6>,1|H<1>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Mn<6>,1|H<1>}	C[5](P[5]C[5]Mn2)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	113.4320	0.000	1	113.4320	0.000	1	113.9164	0.396	16	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](P[5]C[5]SW)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|S<2>,1|W<6>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|S<2>,1|W<6>}	C[5](P[5]C[5]SW)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	113.7945	0.015	2	113.7945	0.000	2	113.9164	0.396	16	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](P[5]C[5]Ru2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Ru<7>,1|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|Ru<7>,1|H<1>,2|C<3>}	C[5](P[5]C[5]Ru2)(C[5]C[5]C)(H){1|C<3>,1|C<4>}	113.9730	0.000	1	113.9730	0.000	1	113.9164	0.396	16	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HO)(C[5]C[5]Si)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]Si)(O){1|C<3>,1|C<4>}	107.1170	0.000	1	107.1170	0.000	1	107.1170	0.000	1	112.6174	7.523	21	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CHHN)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CSiC)	C[5](C[5]C[5]C)2(CHHN){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CSiC){1|C<4>,1|O<1>}	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	114.1714	9.321	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](P[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,3|C<3>}	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,1|P<4>,2|C<3>}	C[5](P[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	116.3960	0.824	4	116.3960	0.679	4	116.3960	0.679	4	114.1714	9.321	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Si-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CCC){1|Si<4>,1|O<1>}	113.1940	0.000	1	113.1940	0.000	1	113.1940	0.000	1	114.1714	9.321	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,8|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,5|C<4>,5|H<1>}	109.2710	0.000	1	109.2710	0.000	1	109.2710	0.000	1	114.1714	9.321	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|S<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	109.9145	0.206	2	110.3586	0.195	8	110.0803	0.496	10	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	110.1165	0.098	2	110.3586	0.195	8	110.0803	0.496	10	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	110.7018	0.332	4	110.3586	0.195	8	110.0803	0.496	10	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|Si<4>,1|C<4>,1|P<3>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3){1|N<3>,1|P<3>,3|C<4>}	108.9670	0.000	2	108.9670	0.000	2	110.0803	0.496	10	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Al<6>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(CH3){1|Al<6>,1|C<4>,1|H<1>}	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CH3){2|C<4>}	109.1445	0.071	2	109.1445	0.005	2	109.3484	0.143	56	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|As<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(CH3){1|As<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3){2|C<4>}	109.4452	0.291	6	109.4452	0.085	6	109.3484	0.143	56	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,1|Si<4>,1|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,1|Si<4>,1|C<4>}	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3){2|C<4>}	108.9645	0.486	4	108.9645	0.236	4	109.3484	0.143	56	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]HgSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Hg<2>,1|Si<4>,1|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Hg<2>,1|Si<4>,1|C<4>}	C[5](C[5]C[5]HgSi)(C[5]C[5]C)(CH3){2|C<4>}	109.4630	0.349	22	109.4630	0.122	22	109.3484	0.143	56	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|In<4>,1|Si<4>,1|C<4>}	C[5](C[5]C[5]C)2(CH3){1|In<4>,1|Si<4>,1|C<4>}	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3){2|C<4>}	108.8465	0.128	4	108.8465	0.016	4	109.3484	0.143	56	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SbH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Sb<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(CH3){1|Sb<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]SbH)(C[5]C[5]C)(CH3){2|C<4>}	109.4308	0.351	6	109.4308	0.123	6	109.3484	0.143	56	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	109.2693	0.189	9	109.2693	0.036	9	109.3484	0.143	56	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ir<6>,1|C<3>,1|C<4>}	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>}	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	109.1640	0.000	1	109.7030	0.362	3	109.3484	0.143	56	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ir<7>,1|C<3>,1|C<4>}	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>}	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	109.9725	0.537	2	109.7030	0.362	3	109.3484	0.143	56	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C[5](P[5]C[5]CW)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<3>,1|C<4>,1|W<6>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<3>,1|C<4>,1|W<6>}	C[5](P[5]C[5]CW)(C[5]C[5]C)(CCHH){2|C<4>}	114.7515	0.118	2	114.7515	0.014	2	114.6765	0.118	8	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[5]Co2)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|Co<7>,1|C<4>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|Co<7>,1|C<4>}	C[5](P[5]C[5]Co2)(C[5]C[5]C)(CH3){2|C<4>}	114.2615	0.308	2	114.2615	0.095	2	114.6765	0.118	8	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[5]RhC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Rh<8>,2|C<4>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Rh<8>,2|C<4>}	C[5](P[5]C[5]RhC)(C[5]C[5]C)(CH3){2|C<4>}	114.8125	0.484	2	114.8125	0.235	2	114.6765	0.118	8	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	114.8805	0.100	2	114.8805	0.010	2	114.6765	0.118	8	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]Y)(CH3)	C[5](C[5]N[5]CY)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Y<14>,1|C<5>}	C[5](C[5]C[5]C)(N[5]C[5]Y)(CH3){1|C<4>,1|C<5>}	C[5](C[5]N[5]CY)(C[5]C[5]C)(CH3){1|C<4>}	106.8970	0.075	2	106.8970	0.006	2	106.8970	0.006	2	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Ti)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]TiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ti<9>,1|H<1>}	C[5](N[5]C[5]Ti)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]TiH)(C[5]C[5]C)(CH3){1|C<4>}	107.3080	0.000	1	107.3080	0.000	1	107.3102	0.685	4	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Sm)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]SmC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Sm<14>,1|C<5>}	C[5](N[5]C[5]Sm)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	C[5](C[5]N[5]SmC)(C[5]C[5]C)(CH3){1|C<4>}	106.7260	0.023	2	106.7260	0.001	2	107.3102	0.685	4	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,1|N<3>}	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>}	108.4810	0.000	1	108.4810	0.000	1	107.3102	0.685	4	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[5]-3:C[5]-3:C[6]-4:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|Cl<1>,1|C<3>,6|H<1>,7|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|Cl<1>,2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	110.2250	0.000	1	110.2250	0.000	1	109.7815	0.393	2	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:3:4:	4:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[5]-3:C[5]-3:C[6]-4:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	109.3380	0.000	1	109.3380	0.000	1	109.7815	0.393	2	109.8088	3.206	82	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:4:3:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>}	108.0300	0.000	1	108.0300	0.000	1	108.0300	0.000	1	108.0300	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:4:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6a]C[5])(S[5]C[5]OO)(C[5]C[5]C)	C[5](C[5]C[5]C)(C[5]S[5]H)(H)	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6a]C[5])(S[5]C[5]OO)(C[5]C[5]C){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]S[5]H)(H){1|C<3>,2|O<1>}	112.5300	0.000	1	112.5300	0.000	1	112.5300	0.000	1	112.5300	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:4:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:P[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(P[5]C[5]CS)(C[5]C[5]C)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|C<3>}	C[5](C[5]C[5]P[5])(P[5]C[5]CS)(C[5]C[5]C){1|S<1>,3|C<3>,3|C<4>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|S<1>,3|C<3>}	113.9888	0.381	6	113.9888	0.145	6	113.9888	0.145	6	112.4884	8.752	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:4:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5a]-3:S[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH)	C[5](C[5a]C[5a]S[5a])(S[5]C[5]OO)(C[5]C[5]C)	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH){1|S<2>,2|C<3>,2|O<1>}	C[5](C[5a]C[5a]S[5a])(S[5]C[5]OO)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH){1|S<2>,2|C<3>,2|O<1>}	114.8250	0.042	2	114.8250	0.002	2	114.8250	0.002	2	112.4884	8.752	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:4:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	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)	C[5](C[5]C[5]C)2(CH3)	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>}	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[5](C[5]C[5]C)2(CH3){1|Ir<6>,1|C<3>,1|C<4>}	108.0410	0.000	1	107.9297	0.009	3	107.9297	0.009	3	112.4884	8.752	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:4:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	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)	C[5](C[5]C[5]C)2(CH3)	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>}	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[5](C[5]C[5]C)2(CH3){1|Ir<7>,1|C<3>,1|C<4>}	107.8740	0.016	2	107.9297	0.009	3	107.9297	0.009	3	112.4884	8.752	11	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	3:4:3:	4:3:1:	C[5]-3:C[5]-3:Si-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O){1|C<3>,1|C<4>,1|O<2>}	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]C)(H)	C[5](O[5]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	107.1218	0.454	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-1:	O[5]-2:C[5]-3:H-1:	C[5](C[5]C[5,5]O)(C[5]O[5]H)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5](O[5]C[5,5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]O)(C[5]O[5]H)(CH3){1|C<3>,1|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>}	106.7570	0.317	2	106.7570	0.100	2	106.7570	0.100	2	107.1218	0.454	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH){2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|H<1>,2|C<4>}	106.9750	0.489	2	106.9750	0.239	2	107.3433	0.226	6	107.1218	0.454	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	107.4410	0.000	1	107.4410	0.000	1	107.3433	0.226	6	107.1218	0.454	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H)	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	107.5563	0.486	3	107.5563	0.236	3	107.3433	0.226	6	107.1218	0.454	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	O[5]-2:C[5]-3:H-1:	C[5](C[5]C[5,6]O)(C[5]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(O)	C[5](O[5]C[5,6])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]O)(C[5]O[5]H)(CH3){2|C<4>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(H){1|O<1>,2|C<4>}	105.7940	0.000	1	105.7940	0.000	1	105.7940	0.000	1	107.1218	0.454	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	2:3:2:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	O[5]-2:C[5]-3:N-2:	C[5](C[5]C[5,5]H)(C[5]O[5]N)(CCHH)	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]C)(H)	C[5](O[5]C[5,5])(C[5]C[5]C)(NH)	C[5](C[5]C[5,5]H)(C[5]O[5]N)(CCHH){1|C<4>,1|O<2>}	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]C)(NH){1|C<4>,1|H<1>,1|O<2>}	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	2:3:4:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-1:	O[5]-2:C[5]-3:C-4:	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5](O[5]C[5,5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3){1|C<3>,1|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){3|H<1>}	107.5640	0.000	1	107.5640	0.000	1	107.2764	0.213	19	107.2764	0.213	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	107.7640	0.000	1	107.7640	0.000	1	107.2764	0.213	19	107.2764	0.213	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){3|H<1>}	107.2030	0.187	3	107.2030	0.035	3	107.2764	0.213	19	107.2764	0.213	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){3|H<1>}	107.2026	0.362	5	107.2026	0.131	5	107.2764	0.213	19	107.2764	0.213	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<4>}	106.8097	0.917	3	106.9175	0.607	4	107.2764	0.213	19	107.2764	0.213	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<4>}	107.2410	0.000	1	106.9175	0.607	4	107.2764	0.213	19	107.2764	0.213	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	107.6017	0.227	3	107.6058	0.035	4	107.2764	0.213	19	107.2764	0.213	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	107.6180	0.000	1	107.6058	0.035	4	107.2764	0.213	19	107.2764	0.213	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	107.2090	0.000	1	107.2090	0.000	1	107.2764	0.213	19	107.2764	0.213	19	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]C)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5](N[5]C[5,6]H)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:Br-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]C)(Br)	C[5](C[5]C[5]C)(N[5]C[5]S)(O)	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3){1|C<3>,1|O<2>,1|S<4>}	C[5](C[5]C[6a]N[5]O)(C[5]C[5]C)(Br){1|O<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]S)(O){1|Br<1>,1|C<3>,1|O<2>}	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	106.7645	0.050	2	106.7645	0.003	2	107.4754	0.707	7	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	107.3595	0.073	2	107.3863	0.010	4	107.4754	0.707	7	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	107.4130	0.150	2	107.3863	0.010	4	107.4754	0.707	7	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CC[6a]CH){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	109.2540	0.000	1	109.2540	0.000	1	107.4754	0.707	7	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)2(O){3|H<1>}	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){3|H<1>}	108.4130	0.000	1	108.4130	0.000	1	108.7723	0.158	3	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){3|H<1>}	109.1990	0.000	1	109.1990	0.000	1	108.7723	0.158	3	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]N[5]HO)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<2>,2|H<1>}	108.7050	0.000	1	108.7050	0.000	1	108.7723	0.158	3	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O)	C[5](P[5]C[5]C[6]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(H)	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O){1|H<1>,2|C<4>}	C[5](P[5]C[5]C[6]2)(C[5]C[5]C)(H){4|C<4>,4|H<1>}	C[5](C[5]C[5]C)(C[5]P[5]H)(H){1|H<1>,2|C<4>}	114.1080	0.000	1	114.1080	0.000	1	114.1080	0.000	1	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:1:	C[5]-3:C[5]-3:Si-4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O)	C[5](C[5]C[5]Si)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O){1|C<3>,1|H<1>}	C[5](C[5]C[5]Si)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	106.6010	0.000	1	106.6010	0.000	1	106.6010	0.000	1	108.2441	3.260	16	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	As[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	C[5](As[5]C[6a]C[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[5](As[5]C[6a]C[5]Pd)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	115.2780	1.394	2	115.2780	1.944	2	115.4797	0.740	4	113.0932	4.651	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	As[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	C[5](As[5]C[6a]C[5]Pt)(C[5]C[5]C)(H)	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C[5](As[5]C[6a]C[5]Pt)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	115.6815	0.337	2	115.6815	0.114	2	115.4797	0.740	4	113.0932	4.651	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){3|H<1>}	108.8510	0.057	2	108.8510	0.003	2	108.8055	0.004	4	113.0932	4.651	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]C)(H){2|C<3>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	108.7600	0.000	2	108.7600	0.000	2	108.8055	0.004	4	113.0932	4.651	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)2(CHHN)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CHHN){1|C<4>,1|H<1>,1|O<1>}	110.0610	0.000	1	110.0610	0.000	1	110.3990	0.228	2	113.0932	4.651	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCHH){1|O<1>,2|H<1>}	110.7370	0.000	1	110.7370	0.000	1	110.3990	0.228	2	113.0932	4.651	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,2|C<3>}	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,2|C<3>}	114.5000	0.305	2	114.5000	0.093	2	113.8151	0.170	18	113.0932	4.651	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	113.6955	0.056	2	113.6955	0.003	2	113.8151	0.170	18	113.0932	4.651	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	113.8060	0.261	8	113.8060	0.068	8	113.8151	0.170	18	113.0932	4.651	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Ru<4>,1|C<3>,1|H<1>}	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Ru<4>,1|C<3>,1|H<1>}	113.6387	0.482	6	113.6387	0.233	6	113.8151	0.170	18	113.0932	4.651	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:O-1:	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(CC3)	C[5](C[3,5]C[3,5]2C)(C[5]C[5]C)(H)	C[5](C[3,5]C[3,5]2H)(C[5]C[5]C)(O)	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(CC3){1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5]2C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[3,5]C[3,5]2H)(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<4>}	107.8400	0.103	2	107.8400	0.011	2	107.8400	0.011	2	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){1|C<3>,2|C<4>,3|H<1>}	109.3650	0.000	1	109.1420	0.099	2	109.1420	0.099	2	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){3|C<4>,3|H<1>}	108.9190	0.000	1	109.1420	0.099	2	109.1420	0.099	2	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	107.0840	0.000	1	107.0840	0.000	1	107.0840	0.000	1	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5](C[5,5]C[5,5]2O)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]2O)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	107.7840	0.000	1	107.7840	0.000	1	107.9990	0.092	2	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	108.2140	0.000	1	108.2140	0.000	1	107.9990	0.092	2	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>}	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	108.2895	0.276	2	108.2895	0.076	2	108.3821	0.166	11	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){3|H<1>}	108.2880	0.000	1	108.2880	0.000	1	108.3821	0.166	11	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){3|H<1>}	108.4585	0.667	4	108.4585	0.446	4	108.3821	0.166	11	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	108.2543	0.110	3	108.2543	0.012	3	108.3821	0.166	11	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H){1|O<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	108.7390	0.000	1	108.7390	0.000	1	108.3821	0.166	11	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	108.4150	0.000	2	108.4150	0.000	2	108.3970	0.001	3	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>}	108.3610	0.000	1	108.3610	0.000	1	108.3970	0.001	3	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(C[5]C[5]2Fe)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(O)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(C[5]C[5]2Fe){4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(H){1|Fe<10>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(O){1|Fe<10>,3|H<1>,5|C<4>}	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]H)2(C[6]C[6]2Cr)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C[6])(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C[6])(H)	C[5](C[5]C[5,5,6]H)2(C[6]C[6]2Cr){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C[6])(H){1|Cr<9>,1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C[6])(H){1|Cr<9>,2|C<3>,2|H<1>,4|C<4>}	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	108.4881	0.657	26	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:2:	C[5]-3:C[5]-3:Si-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]H)(C[5]C[5]N)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(NS)	C[5](C[5]C[5]H)(C[5]C[5]N)(SiC3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(H){1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(NS){3|H<1>}	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[3]O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[3]O){1|O<1>,2|H<1>}	108.8980	0.000	1	108.8980	0.000	1	108.8980	0.000	1	108.1513	0.418	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:Si-4:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(SiC3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]Si)(O)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]Si)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(SiC3){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]Si)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]Si){1|O<1>,2|H<1>,4|C<3>}	107.7780	0.021	2	107.7780	0.000	2	107.7780	0.000	2	108.1513	0.418	3	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	108.8220	0.041	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.8220	0.041	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:2:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-2:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC)	C[5](O[5]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](O[5]C[5,5])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>}	105.8990	0.144	7	105.8990	0.021	7	105.8990	0.021	7	105.5814	0.528	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:2:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-2:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CC3)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CC3){2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|O<1>,2|C<4>,4|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|O<2>,2|C<4>}	104.2600	0.506	2	104.2600	0.256	2	104.8403	1.139	3	105.5814	0.528	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:2:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-2:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(OH)	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CH3){2|C<4>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|O<2>,2|C<4>}	106.0010	0.000	1	106.0010	0.000	1	104.8403	1.139	3	105.5814	0.528	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[3x5,6,6]-4:C[5]-3:O-2:	C[3x5,6,6]-4:C[5]-3:O-1:	C[5](C[5]C[3x5,6,6]O)2(CH3)	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(OC)	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[3x5,6,6]O)2(CH3){4|C<4>}	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(OC){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(O){1|C<3>,4|C<4>,4|O<2>}	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.9592	0.176	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	108.3553	0.262	3	108.3553	0.068	3	108.0275	0.154	8	107.9592	0.176	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	108.1010	0.000	1	108.1010	0.000	1	108.0275	0.154	8	107.9592	0.176	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	107.7130	0.567	2	107.7130	0.322	2	108.0275	0.154	8	107.9592	0.176	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:2:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	107.8135	0.016	2	107.8135	0.000	2	108.0275	0.154	8	107.9592	0.176	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](O[5]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3){2|C<3>,2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]C)(O){1|C<3>,2|C<4>}	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	108.7640	0.551	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-3:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]O[5]O)(CH3)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCC)	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]C)(C[5]O[5]O)(CH3){2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCC){1|O<1>,2|C<4>,4|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|C<3>,2|C<4>}	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	108.7640	0.551	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	2:3:2:	C[5]-3:C[5]-3:C-4:	B[5,6,6]-4:C[6a]-3:C[5]-3:	O[5]-2:C[5]-3:O-2:	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH)	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](O[5]B[5,6,6])(C[5]C[5]C)(OC)	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH){2|C<3>,2|C<4>}	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](O[5]B[5,6,6])(C[5]C[5]C)(OC){1|C<3>,2|C<4>}	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCC){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<3>}	108.1150	0.000	1	108.1150	0.000	1	107.9675	0.044	2	107.8438	0.412	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<3>}	107.8200	0.000	1	107.8200	0.000	1	107.9675	0.044	2	107.8438	0.412	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<3>}	107.9052	0.715	6	107.9052	0.512	6	107.9052	0.512	6	107.8438	0.412	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:N-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(NC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H){2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|N<3>,2|H<1>}	106.8790	0.000	1	106.8790	0.000	1	106.8790	0.000	1	107.8438	0.412	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<3>}	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	107.8438	0.412	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:2:4:	C[5]-3:C[5]-3:C-4:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrCC)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]Si[5])(CC3)	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrCC){2|C<3>,2|C<4>}	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]Si[5])(CC3){1|C<3>,2|C<4>}	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH){5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]C)(H){5|C<3>}	108.8033	0.461	3	108.8033	0.212	3	108.8033	0.212	3	109.1900	0.371	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS)	C[5](C[5]C[5,6]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH){3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5]C)(H){1|N<3>,4|C<3>}	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	109.1900	0.371	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[5,6]C)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH){1|C<4>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]C)(O){3|C<3>}	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	109.1900	0.371	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	109.1900	0.371	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2)	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]C)2(O){1|N<3>,2|H<1>}	109.4050	0.000	1	109.4050	0.000	1	109.4050	0.000	1	109.1900	0.371	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:P-4:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[5](N[5]C[5,6]C)(C[5]C[5]P)(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3){1|C<4>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]P){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]P)(O){3|C<3>}	109.3520	0.372	2	109.3520	0.138	2	109.3520	0.138	2	109.1900	0.371	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:S-4:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SC[6a]OO)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[5](N[5]C[5,6]C)(C[5]C[5]S)(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SC[6a]OO){1|C<4>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]S)(O){3|C<3>}	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	109.1900	0.371	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)2(CCHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHN){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	110.5070	0.000	1	110.5070	0.000	1	110.5070	0.000	1	111.2948	7.504	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(CHN){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,2|C<3>}	112.4080	0.000	1	112.4080	0.000	1	113.6384	1.653	5	111.2948	7.504	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|W<6>,2|C<3>}	115.7880	0.000	1	115.7880	0.000	1	113.6384	1.653	5	111.2948	7.504	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|W<6>,2|C<3>}	113.0510	0.000	1	113.0510	0.000	1	113.6384	1.653	5	111.2948	7.504	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COS)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COS){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|W<6>,2|C<3>}	113.2760	0.000	1	113.2760	0.000	1	113.6384	1.653	5	111.2948	7.504	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COW)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COW){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|W<6>,2|C<3>}	113.6690	0.000	1	113.6690	0.000	1	113.6384	1.653	5	111.2948	7.504	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](P[5]C[5]Ru2)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|Ru<7>,1|H<1>,2|C<3>}	C[5](P[5]C[5]Ru2)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Ru<7>,1|C<3>}	114.0580	0.000	1	114.0580	0.000	1	114.0580	0.000	1	111.2948	7.504	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2H)(C[5]C[5]C)2	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2H)(C[5]C[5]C)2{1|C<3>,4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>}	107.7225	0.165	2	107.7225	0.027	2	107.7225	0.027	2	111.2948	7.504	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|Cl<1>,2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|Cl<1>,1|C<3>,6|H<1>,7|C<4>}	108.8060	0.000	1	108.8060	0.000	1	109.1117	0.182	3	111.2948	7.504	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){2|C<3>,6|C<4>,6|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,7|C<4>,7|H<1>}	108.9300	0.000	1	108.9300	0.000	1	109.1117	0.182	3	111.2948	7.504	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	109.5990	0.000	1	109.5990	0.000	1	109.1117	0.182	3	111.2948	7.504	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF)	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){2|C<3>,2|C<4>,2|H<1>}	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(O){1|O<2>,4|C<3>}	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	109.4180	0.000	1	109.4180	0.000	1	108.3465	2.296	2	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	107.2750	0.000	1	107.2750	0.000	1	108.3465	2.296	2	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	108.6140	0.000	1	108.6140	0.000	1	108.6140	0.000	1	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|N<3>,2|H<1>}	109.4820	0.000	1	109.4820	0.000	1	109.6955	0.091	2	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|N<3>,2|H<1>}	109.9090	0.000	1	109.9090	0.000	1	109.6955	0.091	2	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	109.5210	0.000	1	109.5210	0.000	1	109.0577	0.129	4	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	108.7490	0.000	1	108.7490	0.000	1	109.0577	0.129	4	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|C<3>}	108.9805	0.257	2	108.9805	0.066	2	109.0577	0.129	4	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	108.3030	0.460	2	108.4383	0.161	3	108.4383	0.161	3	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	108.7090	0.000	1	108.4383	0.161	3	108.4383	0.161	3	108.9947	0.585	14	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<2>,1|C<4>,1|H<1>}	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|Ga<2>,1|C<4>,1|H<1>}	105.9990	0.000	1	105.9990	0.000	1	108.0854	1.903	5	108.8747	5.160	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<4>,2|H<1>}	108.0450	0.085	2	108.0450	0.007	2	108.0854	1.903	5	108.8747	5.160	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,2|H<1>}	109.8400	0.000	1	109.8400	0.000	1	108.0854	1.903	5	108.8747	5.160	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|C<5>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<5>,1|H<1>}	C[5](C[5]C[5]C)2(H){1|C<4>,2|H<1>}	108.4980	0.000	1	108.4980	0.000	1	108.0854	1.903	5	108.8747	5.160	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	109.2230	0.000	1	109.2230	0.000	1	108.4000	0.518	3	108.8747	5.160	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,2|H<1>}	107.9885	0.139	2	107.9885	0.019	2	108.4000	0.518	3	108.8747	5.160	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:1:	C[5]-3:C[5]-3:Si-4:	Si[5]-4:C[5]-3:Si-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Si[5]Si)(C[5]C[5]H)(SiC3)	C[5](Si[5]C[5]CC)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]Si)(C[5]Si[5]B)(H)	C[5](C[5]Si[5]Si)(C[5]C[5]H)(SiC3){1|B<3>,2|C<4>}	C[5](Si[5]C[5]CC)(C[5]C[5]Si)(SiC3){1|B<3>,1|H<1>}	C[5](C[5]C[5]Si)(C[5]Si[5]B)(H){1|Si<4>,2|C<4>}	114.2450	0.000	1	114.2450	0.000	1	114.2450	0.000	1	108.8747	5.160	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	P[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3)	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3)	C[5](P[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3){1|C<3>,2|C<4>}	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5](P[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]H){2|C<3>,2|C<4>,2|H<1>}	115.6600	0.000	1	115.6600	0.000	1	115.6600	0.000	1	115.6600	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|P<3>,2|C<4>}	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<3>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	109.8360	0.252	2	109.8360	0.063	2	109.5270	0.148	4	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|As<3>,1|Si<4>,1|C<4>}	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>}	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3){1|As<3>,1|N<3>,4|C<4>}	109.2180	0.000	2	109.2180	0.000	2	109.5270	0.148	4	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]C)2(CH3)	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3)	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]C)2(CH3){2|Se<2>,1|C<4>}	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3){1|Se<2>,1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3){1|Se<2>,3|C<4>}	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH){2|C<3>,2|C<4>}	C[5](C[5]C[5]C)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	109.3745	0.773	2	109.3745	0.597	2	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|B<6>,2|C<4>}	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3){7|C<4>}	C[5](C[5]C[5]C)2(CH3){1|B<6>,2|C<4>}	109.4283	0.400	7	109.4283	0.160	7	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){3|C<4>}	109.2580	0.000	2	109.2580	0.000	2	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Al<3>,2|C<4>}	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Al<3>,2|C<4>}	109.1370	0.091	2	108.9398	0.067	13	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Al<4>,2|C<4>}	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Al<4>,2|C<4>}	108.9040	0.264	11	108.9398	0.067	13	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|As<3>,2|C<4>}	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|As<3>,2|C<4>}	108.6765	1.552	4	108.6765	2.409	4	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|B<3>,2|C<4>}	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|B<3>,2|C<4>}	109.5324	0.428	11	109.5324	0.184	11	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<3>,2|C<4>}	109.3894	0.785	8	109.4791	0.549	10	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){3|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){3|C<4>}	109.8380	0.550	2	109.4791	0.549	10	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	108.5100	0.000	1	108.5100	0.000	1	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){1|H<1>,2|C<4>}	108.8870	0.000	1	108.8870	0.000	1	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	109.3440	0.454	3	109.3440	0.206	3	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|N<3>,2|C<4>}	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|N<3>,2|C<4>}	109.5815	0.050	2	109.5815	0.003	2	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|O<3>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|O<3>,2|C<4>}	109.1520	0.161	4	109.1520	0.026	4	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	109.8015	1.291	4	109.6543	0.548	12	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.5807	0.359	8	109.6543	0.548	12	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<2>,2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<2>,2|C<4>}	108.9662	0.510	18	109.1554	0.699	38	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	109.2683	1.105	12	109.1554	0.699	38	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	109.4119	0.977	8	109.1554	0.699	38	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|In<2>,2|C<4>}	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|In<2>,2|C<4>}	109.2838	1.482	6	109.3715	2.017	10	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|In<4>,2|C<4>}	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|In<4>,2|C<4>}	109.5030	1.533	4	109.3715	2.017	10	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,1|W<6>,2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.4710	0.390	2	109.4874	0.244	34	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.3884	0.638	10	109.4874	0.244	34	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.5943	0.227	8	109.4874	0.244	34	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.4995	0.533	14	109.4874	0.244	34	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.6310	0.372	2	109.6310	0.138	2	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	109.6175	0.019	2	109.6255	0.000	4	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	109.6335	0.009	2	109.6255	0.000	4	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<3>,2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<3>,2|C<4>}	109.0935	0.190	6	109.2085	0.110	15	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.2851	0.392	9	109.2085	0.110	15	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	108.5825	0.300	10	108.5825	0.090	10	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	108.8701	0.174	15	108.8701	0.030	15	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>,1|H<1>}	109.5275	0.040	2	109.5275	0.002	2	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Ga<4>,2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	109.2225	0.547	2	109.2225	0.299	2	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	109.3215	0.416	2	109.3215	0.173	2	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|C<4>,3|N<3>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	109.3320	0.311	2	109.1829	0.210	14	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,1|C<3>,2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	109.0147	0.860	4	109.1829	0.210	14	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	109.2297	0.187	8	109.1829	0.210	14	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3){1|As<3>,2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	109.1915	0.161	2	109.1915	0.026	2	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	109.6085	0.141	2	109.6085	0.020	2	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,3|C<4>}	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	109.7175	0.223	2	109.7175	0.050	2	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<5>,2|C<4>}	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Si<5>,1|N<3>,2|C<4>,2|O<2>}	C[5](C[5]C[5]C)2(CH3){1|Si<5>,2|C<4>}	109.4180	0.193	4	109.4180	0.037	4	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3){1|Si<4>,4|C<4>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.3480	0.000	1	109.3480	0.000	1	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|B<4>,2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.3295	0.483	4	109.4937	0.177	14	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|S<1>,2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.4015	0.187	2	109.4937	0.177	14	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Se<1>,2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.4020	0.250	2	109.4937	0.177	14	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Te<1>,2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.6898	0.627	4	109.4937	0.177	14	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Zn<4>,2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	109.6140	0.033	2	109.4937	0.177	14	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<3>,1|C<4>,1|H<1>}	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(CH3){1|Si<3>,1|C<4>,1|H<1>}	109.3365	0.354	2	109.4982	0.077	4	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){1|Ir<6>,2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	109.6600	0.033	2	109.4982	0.077	4	109.2751	0.415	249	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	P[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]P[5]PbC)(C[5]C[5]C)(CH3)	C[5](P[5]C[5]Pb)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pb<4>,1|C<4>}	C[5](C[5]P[5]PbC)(C[5]C[5]C)(CH3){1|C<4>}	C[5](P[5]C[5]Pb)(C[5]C[5]C)(CC3){2|C<4>}	113.8115	0.100	2	113.8115	0.010	2	113.8115	0.010	2	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N){2|C<4>}	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|H<1>,1|P<4>}	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[5a]C[5]Pd)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	C[5](P[5]C[5a]C[5]Pd)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	115.2865	0.120	4	115.2865	0.014	4	115.2865	0.014	4	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C[5](P[5]C[5]CC)(C[5]C[5]C)(SiC3)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>,2|C<4>}	C[5](P[5]C[5]CC)(C[5]C[5]C)(SiC3){1|Si<4>,1|C<4>}	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>,2|C<4>}	115.9830	0.277	4	115.9830	0.077	4	115.9830	0.077	4	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:C[5]-3:C[6]-4:	C[5]-4:C[5]-3:C[6]-4:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,7|C<4>,7|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){2|C<3>,6|C<4>,6|H<1>}	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	109.5087	1.720	266	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	3:4:3:	C[5]-3:C[5]-3:C[6]-4:	C[5]-4:C[5]-3:C[6]-4:	C[5]-3:C[6]-4:C[5]-3:	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){7|H<1>,8|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){6|H<1>,8|C<4>}	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C){6|C<4>,6|H<1>}	109.5085	0.093	2	109.5085	0.009	2	109.5085	0.009	2	109.5085	0.009	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[4,5]-4:C[5]-3:C-4:	C[4,5]-4:C[5]-3:O-1:	C[5](C[5]C[4,5]C)(C[5]C[4,5]O)(CCHH)	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CCHH)	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(O)	C[5](C[5]C[4,5]C)(C[5]C[4,5]O)(CCHH){4|C<4>}	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,3|C<4>}	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(O){1|C<3>,4|C<4>}	109.5285	0.274	2	109.5285	0.075	2	109.5285	0.075	2	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){1|C<3>,5|C<4>}	109.9450	0.225	2	109.9453	0.025	3	109.9453	0.025	3	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){2|C<3>,4|C<4>}	109.9460	0.000	1	109.9453	0.025	3	109.9453	0.025	3	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.7150	0.000	1	109.7150	0.000	1	109.8715	0.016	8	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	109.8643	0.129	3	109.8939	0.014	7	109.8715	0.016	8	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	109.9160	0.124	4	109.8939	0.014	7	109.8715	0.016	8	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(O){1|N<3>,2|C<4>}	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]AlC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Al<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]AlC)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(O){1|C<3>,2|C<4>}	108.9815	0.457	2	108.9815	0.209	2	109.2624	0.111	8	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	109.4780	0.000	1	109.4780	0.000	1	109.2624	0.111	8	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	109.1070	0.000	1	109.1070	0.000	1	109.2624	0.111	8	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	109.4920	0.000	1	109.4920	0.000	1	109.2624	0.111	8	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	109.1570	0.185	2	109.1570	0.034	2	109.2624	0.111	8	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	109.7450	0.000	1	109.7450	0.000	1	109.2624	0.111	8	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:C[5]-3:Si-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]Si)(O){1|O<2>,2|C<4>}	107.1850	0.000	1	107.1850	0.000	1	107.1850	0.000	1	109.4188	0.649	24	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[4,5]-4:C[5]-3:C-4:	C[4,5]-4:C[5]-3:C-3:	C[5](C[5]C[4,5]C)2(CH3)	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CH3)	C[5](C[4,5]Si[4,5]C[4,5]C)(C[5]C[5]C)(CHH)	C[5](C[5]C[4,5]C)2(CH3){1|Si<4>,3|C<4>}	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CH3){1|Si<4>,2|C<3>,2|C<4>}	C[5](C[4,5]Si[4,5]C[4,5]C)(C[5]C[5]C)(CHH){2|N<3>,3|C<4>}	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	110.0095	4.360	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:	C[3,5,6,6]-4:C[5]-3:C[6]-4:	C[3,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H)	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,7|H<1>,8|C<4>}	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,6|C<4>,6|H<1>}	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	110.0095	4.360	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]C)2(CH3)	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[3,5]C)2(CH3){1|Ga<3>,2|C<4>}	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){3|C<4>}	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){3|C<4>}	109.2230	0.000	1	109.3570	0.036	2	108.9232	0.180	5	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]C)2(CH3)	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[3,5]C)2(CH3){1|Ga<6>,2|C<4>}	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){2|Fe<6>,2|C<4>,2|S<3>}	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){2|Fe<6>,2|C<4>,2|S<3>}	109.4910	0.000	1	109.3570	0.036	2	108.9232	0.180	5	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]C)2(CH3)	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[3,5]C)2(CH3){1|In<3>,2|C<4>}	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Rh<8>,2|C<4>}	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Rh<8>,2|C<4>}	108.5380	0.000	2	108.6340	0.028	3	108.9232	0.180	5	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]C)2(CH3)	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[3,5]C)2(CH3){1|In<3>,2|C<4>}	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Ru<8>,2|C<4>}	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Ru<8>,2|C<4>}	108.8260	0.000	1	108.6340	0.028	3	108.9232	0.180	5	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CCHH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]C)2(CCHH){2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH){2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH){2|C<3>,3|C<4>}	110.8672	0.377	8	110.8672	0.142	8	110.8672	0.142	8	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Al<3>,2|C<4>}	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){2|C<4>}	108.4920	0.000	1	108.4920	0.000	1	108.8607	0.240	12	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<4>}	107.9590	0.000	1	107.9590	0.000	1	108.8607	0.240	12	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]DyC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]DyH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Dy<15>,1|C<5>,1|H<2>}	C[5](C[5]C[5]DyC)(C[5]C[5]C)(CH3){1|C<4>,1|H<2>}	C[5](C[5]C[5]DyH)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	108.6645	0.241	2	108.6645	0.058	2	108.8607	0.240	12	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]LuC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]LuH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Lu<15>,1|C<5>,1|H<2>}	C[5](C[5]C[5]LuC)(C[5]C[5]C)(CH3){1|C<4>,1|H<2>}	C[5](C[5]C[5]LuH)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	109.5430	0.718	2	109.5430	0.516	2	108.8607	0.240	12	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]SbSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Sb<5>,1|Si<5>,1|C<4>}	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	C[5](C[5]C[5]SbSi)(C[5]C[5]C)(CH3){2|C<4>}	109.0460	0.000	2	109.0460	0.000	2	108.8607	0.240	12	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3){2|C<4>}	108.8597	0.124	3	108.8425	0.011	4	108.8607	0.240	12	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Zn<5>,2|C<4>}	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3){2|C<4>}	108.7910	0.000	1	108.8425	0.011	4	108.8607	0.240	12	109.5153	1.078	25	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO){1|O<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	107.6072	0.121	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>}	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	107.6072	0.121	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:4:3:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	107.4145	0.397	2	107.4145	0.157	2	107.4145	0.157	2	107.6072	0.121	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:4:3:	3:3:4:	C[5]-3:C[5]-3:C-4:	P[5]-4:C[3]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3)	C[5](P[5]C[6a]C[5]W)(C[3]C[3]P[3]H)(C[5]C[5]C)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|W<6>,2|H<1>}	C[5](P[5]C[6a]C[5]W)(C[3]C[3]P[3]H)(C[5]C[5]C){1|C<4>,1|W<6>,3|C<3>,3|H<1>}	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|C<4>,1|W<6>}	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	114.6570	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O){1|O<2>,2|C<4>}	108.6388	0.195	5	108.6388	0.038	5	108.6388	0.038	5	108.3040	0.635	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	108.7950	0.000	1	108.7950	0.000	1	108.8385	0.004	2	108.3040	0.635	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|C<4>}	108.8820	0.000	1	108.8820	0.000	1	108.8385	0.004	2	108.3040	0.635	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5]-3:C[5]-3:Si-4:	C[5]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3)	C[5](C[5]C[6a]C[5]O)(C[6]C[6]2Cr)(C[5]C[5]Si)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]Si)(O)	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3){1|Cr<9>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5]O)(C[6]C[6]2Cr)(C[5]C[5]Si){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]Si)(O){1|C<4>,1|O<2>,3|C<3>}	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	108.3040	0.635	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:3:4:	4:4:3:	4:3:1:	C[5]-3:C[5]-3:Si-4:	C[6]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3)	C[5](C[6]C[6]2Cr)(C[5]C[5]CO)(C[5]C[5]Si)	C[5](C[5]C[5]SiH)(C[5]C[5]Si)(O)	C[5](C[5]C[5]C[6])(C[5]C[5]O)(SiC3){1|Cr<9>,1|Si<4>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[6]C[6]2Cr)(C[5]C[5]CO)(C[5]C[5]Si){1|Si<4>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]Si)(O){1|O<2>,2|C<4>}	107.0520	0.000	1	107.0520	0.000	1	107.0520	0.000	1	108.3040	0.635	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){2|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){3|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){2|C<4>,7|C<3>}	124.5750	0.000	1	124.5750	0.000	1	124.5750	0.000	1	124.5750	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:3:3:	4:3:3:	C[5]-3:B-4:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	Si-4:B[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[5](SiC[6a]CC)(B[5]C[5]N)(C[5]C[5]B)	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si){1|Si<4>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,1|N<3>,2|C<3>,2|F<1>}	C[5](SiC[6a]CC)(B[5]C[5]N)(C[5]C[5]B){1|Si<4>,1|C<3>}	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:3:3:	4:3:4:	C[5]-3:B-4:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	B[5]-4:C[5]-3:Si-4:	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3)	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si){1|Si<4>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3){1|Si<4>,5|C<3>}	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	3:4:3:	4:3:1:	C[5]-3:P[5]-4:C[5]-3:	C[5]-3:P[5]-4:C[5]-3:	C[5]-4:C[5]-3:Br-1:	C[5](C[5]C[5]P[5])(P[5]O[5]OO)(C[5]C[5]Br)	C[5](C[5]C[5]P[5])(P[5]O[5]OO)(C[5]C[5]Br)	C[5](C[5]C[6a]2O[5])(C[5]C[5]P[5])(Br)	C[5](C[5]C[5]P[5])(P[5]O[5]OO)(C[5]C[5]Br){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5]P[5])(P[5]O[5]OO)(C[5]C[5]Br){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]P[5])(Br){1|O<1>,1|O<2>,1|P<4>,5|C<3>}	127.1860	0.000	1	127.1860	0.000	1	127.1860	0.000	1	127.1860	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	3:4:3:	4:3:4:	3:3:4:	C[5]-3:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C){6|C<4>,6|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3){2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){7|H<1>,8|C<4>}	109.1975	0.122	2	109.1975	0.015	2	109.1975	0.015	2	109.1975	0.015	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:2:3:	4:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:N-3:	C[5]-4:C[5]-3:O-1:	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N)	C[5](C[5]C[5]C)(O[5]C[5])(NCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(NCH){1|O<1>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|N<3>}	106.1550	0.243	2	106.1550	0.059	2	106.1550	0.059	2	106.1550	0.059	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:2:4:	3:2:3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N)	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]2)(N[5]N[5])(NCH)	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|N<3>,1|S<2>,2|C<3>}	C[5](C[5]C[5]2)(N[5]N[5])(NCH){1|C<4>,1|S<2>,2|C<3>}	104.1710	0.000	1	104.1710	0.000	1	104.1710	0.000	1	104.1710	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	109.3775	0.422	2	109.3775	0.178	2	109.3775	0.178	2	106.9011	5.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2Ni)(C[5]C[5]H)2	C[5](C[5]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(H)	C[5](C[5]C[5]2Ni)(C[5]C[5]H)2{2|C<4>,4|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(H){1|Ni<7>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2)(C[5]C[5]H)(H){1|Ni<7>,2|C<4>,2|H<1>}	106.4850	0.000	1	106.4850	0.000	1	106.4850	0.000	1	106.9011	5.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5]2)(N[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]2)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	106.9011	5.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]2Fe)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5]C)(H)	C[5](C[5]C[5]2)(N[5]N[5]C)(H)	C[5](C[5]C[5]2Fe)(C[5]N[5]H)2{2|H<1>,4|C<4>}	C[5](C[5]C[5]2)(N[5]N[5]C)(H){1|Fe<10>,1|H<1>,3|C<4>}	C[5](C[5]C[5]2)(N[5]N[5]C)(H){1|Fe<10>,1|H<1>,3|C<4>}	104.6120	0.000	1	104.6120	0.000	1	104.6120	0.000	1	106.9011	5.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5]2Fe)(C[5]N[5,6]H)2	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]2)(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]2)(H)	C[5](C[5]C[5]2Fe)(C[5]N[5,6]H)2{2|B<4>,2|C<4>,2|H<1>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]2)(H){1|Fe<10>,1|B<4>,1|H<1>,1|N<3>,4|C<4>}	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]2)(H){1|Fe<10>,1|B<4>,1|H<1>,1|N<3>,4|C<4>}	103.7230	0.345	2	103.7230	0.119	2	103.7230	0.119	2	106.9011	5.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O)	C[5](C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,2|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>}	108.4090	0.000	1	108.4090	0.000	1	108.1705	0.114	2	106.9011	5.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O)	C[5](C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O){1|Fe<10>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2)(C[5]N[5]O)(H){1|Fe<10>,1|C<3>,1|O<1>,2|C<4>}	107.9320	0.000	1	107.9320	0.000	1	108.1705	0.114	2	106.9011	5.497	9	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	3:3:4:	C-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	108.0460	0.000	1	108.0460	0.000	1	108.0460	0.000	1	108.0460	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	4:3:2:	C-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OH)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]N[5]CH)(C[5]C[5]C)(OH){1|H<1>,1|O<1>}	105.9815	0.769	2	105.9815	0.591	2	105.9815	0.591	2	105.9815	0.591	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	4:3:3:	P-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	P-4:C[5]-3:C[5]-3:	C[5](PC[6a]2Au)(C[5]C[5]P)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O)	C[5](PC[6a]2Au)(C[5]C[5]P)(C[5]N[5]O)	C[5](PC[6a]2Au)(C[5]C[5]P)(C[5]N[5]O){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O){1|O<1>,1|P<4>,2|C<3>}	C[5](PC[6a]2Au)(C[5]C[5]P)(C[5]N[5]O){1|C<3>,1|O<1>}	108.6145	0.535	4	108.6145	0.286	4	108.5748	0.371	28	108.5748	0.371	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	4:3:3:	P-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	P-4:C[5]-3:C[5]-3:	C[5](PC[6a]2Cu)(C[5]C[5]P)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O)	C[5](PC[6a]2Cu)(C[5]C[5]P)(C[5]N[5]O)	C[5](PC[6a]2Cu)(C[5]C[5]P)(C[5]N[5]O){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O){1|O<1>,1|P<4>,2|C<3>}	C[5](PC[6a]2Cu)(C[5]C[5]P)(C[5]N[5]O){1|C<3>,1|O<1>}	108.1923	0.521	12	108.1923	0.272	12	108.5748	0.371	28	108.5748	0.371	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:1:	4:3:3:	P-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	P-4:C[5]-3:C[5]-3:	C[5](PC[6a]2Pd)(C[5]C[5]P)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O)	C[5](PC[6a]2Pd)(C[5]C[5]P)(C[5]N[5]O)	C[5](PC[6a]2Pd)(C[5]C[5]P)(C[5]N[5]O){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O){1|O<1>,1|P<4>,2|C<3>}	C[5](PC[6a]2Pd)(C[5]C[5]P)(C[5]N[5]O){1|C<3>,1|O<1>}	108.9441	0.502	12	108.9441	0.252	12	108.5748	0.371	28	108.5748	0.371	28	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:2:	3:3:1:	C[3]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5](C[3]C[3]2H)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[3]C[5])(N[5]C[5]C)(NC)	C[5](C[5]C[3]C[5])(C[5]N[5]O)(H)	C[5](C[3]C[3]2H)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[3]C[5])(N[5]C[5]C)(NC){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[3]C[5])(C[5]N[5]O)(H){1|H<1>,1|N<2>,3|C<4>}	107.3420	0.000	1	107.3420	0.000	1	107.3420	0.000	1	106.3350	2.028	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:2:	3:3:1:	C[5,6,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(O)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	105.3280	0.000	1	105.3280	0.000	1	105.3280	0.000	1	106.3350	2.028	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:3:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	107.9452	0.279	6	107.9452	0.078	6	107.9929	0.276	8	107.9359	0.432	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:3:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){2|C<3>}	108.1360	1.219	2	108.1360	1.486	2	107.9929	0.276	8	107.9359	0.432	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:3:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:O-1:	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	106.5360	0.000	1	106.5360	0.000	1	106.5360	0.000	1	107.9359	0.432	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|N<3>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.9750	0.296	2	107.9750	0.087	2	108.2507	0.272	3	107.9359	0.432	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|N<3>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.8020	0.000	1	108.8020	0.000	1	108.2507	0.272	3	107.9359	0.432	12	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N[5]H)(C[5]C[5]N)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(COO)	C[5](C[5]C[5]2)(C[5]N[5]O)(NC[6a])	C[5](C[5]C[5]N[5]H)(C[5]C[5]N)(C[5]N[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(COO){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2)(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.7940	0.000	1	107.7940	0.000	1	107.7940	0.000	1	107.7940	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:3:4:	3:3:4:	Si[4]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Si[4]N[4]2H)(C[5]C[5]C)2	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2H)(C[5]C[5]C)2{1|C<3>,4|C<4>}	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	106.8800	0.000	1	106.8800	0.000	1	106.8800	0.000	1	106.8800	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:4:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2{2|C<4>,5|B<6>,7|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){1|C<6>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){1|C<6>,2|C<4>,3|H<1>}	108.5620	0.148	2	108.5620	0.022	2	108.5620	0.022	2	108.4878	0.031	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:4:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H)	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O){1|C<3>,1|N<3>,4|H<1>}	108.5680	0.000	1	108.4135	0.048	2	108.4135	0.048	2	108.4878	0.031	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:4:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H)	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	C[5](C[5]C[5]C[6])(C[5]N[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O){1|C<3>,1|N<3>,4|H<1>}	108.2590	0.000	1	108.4135	0.048	2	108.4135	0.048	2	108.4878	0.031	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:4:3:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(O)	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,3|H<1>}	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:4:4:	3:4:1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(O)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	109.2930	1.411	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	3:4:4:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	109.2930	1.411	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:1:	3:2:1:	C[3]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[3]C[3]O[3]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]C[5]O[5]H)(C[5]C[3]C[5])(H)	C[5](C[5]C[3]C[5])(O[5]C[5])(O)	C[5](C[3]C[3]O[3]H)(C[5]C[5]H)(C[5]O[5]O){2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[3]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[3]C[5])(O[5]C[5])(O){1|O<2>,2|C<4>,3|H<1>}	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	106.8174	0.790	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:1:	3:2:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]O[5]CO)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5]O[5]CO)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|O<2>,2|H<1>,3|C<4>}	106.1190	0.000	1	106.1190	0.000	1	106.4710	0.254	4	106.8174	0.790	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:1:	3:2:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){4|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2)(O[5]C[5])(O){2|C<4>,4|H<1>}	106.0610	0.000	1	106.0610	0.000	1	106.4710	0.254	4	106.8174	0.790	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:1:	3:2:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]O[5]HO)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]H)(C[5]O[5]O){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]O[5]HO)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|O<2>,2|C<4>,3|H<1>}	106.5530	0.000	1	106.5530	0.000	1	106.4710	0.254	4	106.8174	0.790	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:1:	3:2:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,6|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2)(O[5]C[5])(O){2|C<4>,4|H<1>}	107.1510	0.000	1	107.1510	0.000	1	106.4710	0.254	4	106.8174	0.790	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:1:	3:2:2:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:O-2:	C[5](C[5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]2)(O[5]C[5])(OC)	C[5](C[5]C[5]2H)(C[5]C[5]O)(C[5]O[5]O){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]2)(O[5]C[5])(OC){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	106.0080	0.000	1	106.0080	0.000	1	106.0080	0.000	1	106.0080	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	106.8650	0.000	1	106.8650	0.000	1	107.7657	1.177	3	108.4664	1.509	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2{3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	108.9700	0.000	1	108.9700	0.000	1	107.7657	1.177	3	108.4664	1.509	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](CC[6a]2C[5])(C[5]C[5]H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)2(H)	C[5](CC[6a]2C[5])(C[5]C[5]H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H){3|H<1>}	107.4620	0.000	1	107.4620	0.000	1	107.7657	1.177	3	108.4664	1.509	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:1:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5]CC)(C[5]C[5]2)(O)	C[5](C[5]C[5]2)(C[5]C[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]2)(C[5]C[5]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	109.5175	0.032	2	109.5175	0.001	2	109.5175	0.001	2	108.4664	1.509	5	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5]O)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5]O)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,1|N<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,1|N<4>,1|O<1>,3|H<1>}	110.8580	0.481	2	110.8580	0.231	2	110.8580	0.231	2	110.8580	0.231	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:2:	4:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:O-1:	C[5](CC[6a]C[5]H)(C[5]C[5]O)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](CC[6a]C[5]H)(C[5]C[5]O)2{4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	108.0945	0.389	4	108.0945	0.151	4	108.0945	0.151	4	108.0945	0.151	4	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){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]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	125.3697	0.380	3	125.3697	0.144	3	124.9860	0.349	5	119.3084	77.737	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,2|H<1>,4|C<3>}	124.4510	0.000	1	124.4510	0.000	1	124.9860	0.349	5	119.3084	77.737	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,1|O<2>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,1|O<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	124.3700	0.000	1	124.3700	0.000	1	124.9860	0.349	5	119.3084	77.737	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	3:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]2Fe)(C[5]C[5]2)(C[5]N[5]O)	C[5](C[5]C[5]2Fe)(C[5]C[5]2)(C[5]N[5]O)	C[5](C[5]C[5]2)(N[5]C[5]H)(O)	C[5](C[5]C[5]2Fe)(C[5]C[5]2)(C[5]N[5]O){1|Fe<10>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5]2)(C[5]N[5]O){1|Fe<10>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[5]2)(N[5]C[5]H)(O){1|Fe<10>,1|O<1>,3|C<4>}	108.0325	0.729	2	108.0325	0.531	2	108.0325	0.531	2	119.3084	77.737	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	3:3:1:	P-4:C[5]-3:C[5]-3:	P-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P)	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P)	C[5](C[5]C[5]H)(C[5]C[5]P)(O)	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P){1|H<1>,1|O<1>}	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	110.6440	0.107	2	110.6440	0.012	2	110.6440	0.012	2	119.3084	77.737	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	3:3:1:	S[5]-4:C[5]-3:C[5]-3:	S[5]-4:C[5]-3:C[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(C[5]C[5]S[5])	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(C[5]C[5]S[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]S[5])(H)	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(C[5]C[5]S[5]){1|H<1>,1|S<2>,2|O<1>,3|C<3>}	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(C[5]C[5]S[5]){1|H<1>,1|S<2>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]S[5])(H){1|S<4>,2|O<1>,3|C<3>}	130.8010	0.000	1	130.8010	0.000	1	130.8010	0.000	1	119.3084	77.737	10	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	3:3:4:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCH)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	3:4:4:	C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5])(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5])(C[5]C[5]C)	C[5](C[5]C[5,6]C[5])(C[5]C[5,6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5])(C[5]C[5]C){1|Cr<9>,3|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5])(C[5]C[5]C){1|Cr<9>,3|H<1>,6|C<4>}	C[5](C[5]C[5,6]C[5])(C[5]C[5,6]HH)(CH3){1|Cr<9>,1|C<3>,3|C<4>}	127.6340	0.000	1	127.6340	0.000	1	127.6340	0.000	1	127.6340	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(NC[6]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]2O)(C[5]C[5]N)(C[5]C[5]O){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(NC[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	109.6683	0.523	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	4:3:1:	P-4:C[5]-3:C[5]-3:	P-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P)	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P)	C[5](C[5]C[5]HH)(C[5]C[5]P)(O)	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P){1|O<1>,2|H<1>}	C[5](PC[6a]2Fe)(C[5]C[5]O)(C[5]C[5]P){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	110.4150	0.184	2	110.4150	0.034	2	109.6323	0.617	6	109.6683	0.523	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	4:3:1:	P-4:C[5]-3:C[5]-3:	P-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](PC[6a]2Os)(C[5]C[5]O)(C[5]C[5]P)	C[5](PC[6a]2Os)(C[5]C[5]O)(C[5]C[5]P)	C[5](C[5]C[5]HH)(C[5]C[5]P)(O)	C[5](PC[6a]2Os)(C[5]C[5]O)(C[5]C[5]P){1|O<1>,2|H<1>}	C[5](PC[6a]2Os)(C[5]C[5]O)(C[5]C[5]P){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	108.9255	0.894	2	108.9255	0.800	2	109.6323	0.617	6	109.6683	0.523	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	4:3:1:	P-4:C[5]-3:C[5]-3:	P-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](PC[6a]2Os)(C[5]C[5]O)(C[5]C[5]P)	C[5](PC[6a]Os2)(C[5]C[5]O)(C[5]C[5]P)	C[5](C[5]C[5]HH)(C[5]C[5]P)(O)	C[5](PC[6a]2Os)(C[5]C[5]O)(C[5]C[5]P){1|O<1>,2|H<1>}	C[5](PC[6a]Os2)(C[5]C[5]O)(C[5]C[5]P){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	109.4670	0.000	1	109.4670	0.000	1	109.6323	0.617	6	109.6683	0.523	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:3:	4:3:1:	P-4:C[5]-3:C[5]-3:	P-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](PC[6a]Os2)(C[5]C[5]O)(C[5]C[5]P)	C[5](PC[6a]2Os)(C[5]C[5]O)(C[5]C[5]P)	C[5](C[5]C[5]HH)(C[5]C[5]P)(O)	C[5](PC[6a]Os2)(C[5]C[5]O)(C[5]C[5]P){1|O<1>,2|H<1>}	C[5](PC[6a]2Os)(C[5]C[5]O)(C[5]C[5]P){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(O){1|O<1>,1|P<4>}	109.6460	0.000	1	109.6460	0.000	1	109.6323	0.617	6	109.6683	0.523	7	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:4:	3:2:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:4:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	110.1160	0.000	1	110.1160	0.000	1	109.9200	0.077	2	109.9200	0.077	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	5:SP2_SP2_SP2	C[5]	C[5]	C[5]	4:3:3:	4:3:4:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|O<2>,2|C<4>,3|H<1>}	109.7240	0.000	1	109.7240	0.000	1	109.9200	0.077	2	109.9200	0.077	2	107.4178	8.960	13361	107.6287	9.755	14650
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	3:4:3:	4:3:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2{5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	121.0453	0.262	4	121.0453	0.069	4	122.1694	1.485	8	122.1694	1.485	8	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	3:4:3:	4:3:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2{5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	123.2935	0.162	4	123.2935	0.026	4	122.1694	1.485	8	122.1694	1.485	8	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,4|C<3>,4|C<4>}	120.2775	0.174	4	120.3841	0.090	23	120.3841	0.090	23	120.3841	0.090	23	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,4|C<3>,4|C<4>}	120.7572	0.307	4	120.3841	0.090	23	120.3841	0.090	23	120.3841	0.090	23	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,1|C<3>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,2|Mg<7>,4|C<3>,4|C<4>}	119.9685	0.030	2	120.3841	0.090	23	120.3841	0.090	23	120.3841	0.090	23	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,1|C<3>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,2|Mg<7>,4|C<3>,4|C<4>}	120.0175	0.046	2	120.3841	0.090	23	120.3841	0.090	23	120.3841	0.090	23	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	120.2443	0.043	3	120.3841	0.090	23	120.3841	0.090	23	120.3841	0.090	23	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	120.6845	0.134	2	120.3841	0.090	23	120.3841	0.090	23	120.3841	0.090	23	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,3|C<3>,5|C<4>}	120.4370	0.148	6	120.3841	0.090	23	120.3841	0.090	23	120.3841	0.090	23	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,1|Mg<8>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	120.1830	0.049	2	120.1036	0.006	5	120.1036	0.006	5	120.1036	0.006	5	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,1|Mg<8>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,4|C<3>,4|C<4>}	120.0290	0.000	1	120.1036	0.006	5	120.1036	0.006	5	120.1036	0.006	5	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6,6]-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]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,1|Mg<8>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<8>,3|C<4>,5|C<3>}	120.0615	0.036	2	120.1036	0.006	5	120.1036	0.006	5	120.1036	0.006	5	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:3:	4:4:3:	C[5,6,6]-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]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,1|Mg<8>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)2(C[5,6,6]C[5,6,6]2){3|C<3>,5|C<4>}	119.9650	0.007	2	119.9650	0.000	2	119.9650	0.000	2	119.9650	0.000	2	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<3>,6|C<4>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru){1|Ru<5>,3|C<4>,7|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2{1|Ru<5>,3|C<4>,7|C<3>}	120.8550	0.269	4	120.8550	0.073	4	120.8550	0.073	4	120.8550	0.073	4	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	3:3:3:	4:4:3:	3:3:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,2|Mg<7>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)2(C[5,6,6]C[5,6,6]2){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{2|Mg<7>,1|C<3>,7|C<4>}	120.5175	0.222	4	120.5175	0.049	4	120.5175	0.049	4	120.5175	0.049	4	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:4:3:	3:3:3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2{1|Ru<5>,3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<3>,6|C<4>}	119.9685	0.412	4	119.9685	0.170	4	119.9685	0.170	4	119.9685	0.170	4	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	3:4:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3: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[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	121.0280	0.288	3	121.0280	0.083	3	121.0280	0.083	3	121.0280	0.083	3	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<8>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,1|Mg<8>,3|C<3>,5|C<4>}	120.8450	0.017	2	121.0571	0.048	7	121.0571	0.048	7	121.0571	0.048	7	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<8>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,1|Mg<8>,3|C<3>,5|C<4>}	121.0330	0.031	2	121.0571	0.048	7	121.0571	0.048	7	121.0571	0.048	7	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<7>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,1|Mg<8>,3|C<3>,5|C<4>}	120.9390	0.000	1	121.0571	0.048	7	121.0571	0.048	7	121.0571	0.048	7	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6]	C[5,6,6]	4:3:3:	4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6]C[5,6,6]2)3	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<8>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]2Mg)(C[5,6,6]C[5,6,6]2)2{1|Mg<4>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]2)3{1|Mg<4>,1|Mg<7>,1|Mg<8>,3|C<3>,5|C<4>}	121.3525	0.081	2	121.0571	0.048	7	121.0571	0.048	7	121.0571	0.048	7	120.7081	0.673	60	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6,6]	C[5,6]	3:3:3:	4:4:3:	3:3:2:	C[5,6,6]-3:C[5,6]-3:C[5]-3:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5])	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5]){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]Si[5,6]H)(C[5,5,6]Si[3x5]C[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){4|C<3>,4|C<4>}	122.1250	0.000	1	122.1250	0.000	1	122.1250	0.000	1	122.1250	0.000	1	122.1250	0.000	1	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,1|O<1>,8|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){1|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2{10|C<3>}	118.7070	0.000	1	118.7070	0.000	1	118.0475	0.870	2	118.0475	0.870	2	118.0475	0.870	2	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	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[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	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>}	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2{10|C<3>}	117.3880	0.000	1	117.3880	0.000	1	118.0475	0.870	2	118.0475	0.870	2	118.0475	0.870	2	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:2:	3:3:2:	3:2:3:	C[5,6]-3:C[5,6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:S[5]-2:	C[5,6]-3:Se[6]-2:N[5]-3:	C[5,6](C[5,6]C[5,6]S[5])(C[5,6]Se[6]N[5])(S[5]C[5])	C[5,6](C[5,6]C[5,6]S[5])(C[5,6]Se[6]N[5])(S[5]C[5])	C[5,6](C[5,6]C[5,6]S[5])(Se[6]Se[6])(N[5]C[5]C)	C[5,6](C[5,6]C[5,6]S[5])(C[5,6]Se[6]N[5])(S[5]C[5]){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C[5,6](C[5,6]C[5,6]S[5])(C[5,6]Se[6]N[5])(S[5]C[5]){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C[5,6](C[5,6]C[5,6]S[5])(Se[6]Se[6])(N[5]C[5]C){1|C<3>,1|S<1>,1|S<2>}	125.2425	0.080	2	125.2425	0.006	2	125.2425	0.006	2	125.2425	0.006	2	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:2:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:Se[5]-2:	C[5,6a]-3:C[5,6]-3:Se[6]-2:	C[5,6]-3:C[5,6]-3:Se[5]-2:	C[5,6](C[5,6]C[5,6a]Se[6])(C[5,6]C[5,6]Se[5])(Se[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[5])(Se[6]Se[6])	C[5,6](C[5,6]C[5,6a]Se[6])(C[5,6]C[5,6]Se[5])(Se[5]C[5,6a])	C[5,6](C[5,6]C[5,6a]Se[6])(C[5,6]C[5,6]Se[5])(Se[5]C[5,6a]){1|Se<2>,4|C<3>}	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[5,6](C[5,6]C[5,6a]Se[6])(C[5,6]C[5,6]Se[5])(Se[5]C[5,6a]){1|Se<2>,4|C<3>}	127.8540	0.105	2	127.8540	0.011	2	127.8540	0.011	2	127.8540	0.011	2	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){1|C<4>,6|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,1|O<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]){1|H<1>,2|O<1>,7|C<3>}	121.2790	0.000	1	121.2790	0.000	1	121.2790	0.000	1	116.2513	30.070	3	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6]-3:C[5,6]-3:	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[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	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[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>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<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]){1|Cl<1>,1|H<1>,8|C<3>}	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	116.2513	30.070	3	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ni){1|O<1>,2|H<1>,3|C<3>}	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[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>}	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	116.2513	30.070	3	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]){1|H<1>,2|O<1>,7|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){1|C<4>,6|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){9|C<3>}	121.7950	0.000	1	121.7950	0.000	1	121.7950	0.000	1	121.7950	0.000	1	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]){1|H<1>,3|O<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	120.9270	0.096	2	120.9270	0.009	2	120.9270	0.009	2	116.9300	47.933	3	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6]-3:N[6]-3:	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)	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[5,6]C[5]C[6])(N[6]C[6]Ru){1|Ru<8>,3|C<3>,3|H<1>}	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[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>}	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	116.9300	47.933	3	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2{1|H<1>,2|C<4>,8|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){2|C<4>,2|H<1>,8|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){10|C<3>,2|C<4>}	120.3550	0.000	1	120.3550	0.000	1	120.3550	0.000	1	120.3550	0.000	1	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:3:4:	4:3:3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|S<2>,2|C<3>,3|C<4>,4|F<1>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	120.7765	0.108	2	120.7765	0.012	2	120.7765	0.012	2	120.7765	0.012	2	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:4:3:	3:3:4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|S<2>,2|C<3>,3|C<4>,4|F<1>}	122.4405	0.347	2	122.4405	0.121	2	122.1422	0.171	6	122.1422	0.171	6	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:4:3:	3:3:4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	121.9930	0.396	4	121.9930	0.156	4	122.1422	0.171	6	122.1422	0.171	6	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:4:	3:4:3:	3:4:3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	122.0400	0.000	1	122.0400	0.000	1	122.0400	0.000	1	122.0400	0.000	1	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:4:	4:3:3:	3:3:4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|C<3>,1|S<2>,2|F<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	121.7925	0.514	2	121.8864	0.267	11	121.8864	0.267	11	121.8864	0.267	11	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:4:	4:3:3:	3:3:4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Fe<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	121.6930	0.523	2	121.8864	0.267	11	121.8864	0.267	11	121.8864	0.267	11	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:4:	4:3:3:	3:3:4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Ru<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	121.4510	0.000	1	121.8864	0.267	11	121.8864	0.267	11	121.8864	0.267	11	121.4088	13.555	32	120.9030	5.203	95
818	818	818	6:SP2_SP2_SP2	C[5,6]	C[5,6]	C[5,6]	3:3:4:	4:3:3:	3:3:4:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF)	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])2(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	122.0547	0.580	6	121.8864	0.267	11	121.8864	0.267	11	121.8864	0.267	11	121.4088	13.555	32	120.9030	5.203	95