643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:2:	C[6a,6a]-3:C[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]O[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,3|H<1>,4|C<3>}	125.1310	0.000	1	125.1310	0.000	1	125.1310	0.000	1	125.1310	0.000	1	125.1310	0.000	1	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]O[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]O[6])(H){1|B<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	121.7040	0.000	1	121.7040	0.000	1	121.7040	0.000	1	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(N[5]S[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|S<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(N[5]S[5]){1|H<1>,1|O<1>,3|C<3>}	120.9400	0.400	6	120.9400	0.160	6	120.9400	0.160	6	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	122.6800	0.000	1	122.6800	0.000	1	122.7217	0.020	3	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	122.6060	0.000	1	122.7425	0.037	2	122.7217	0.020	3	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.8790	0.000	1	122.7425	0.037	2	122.7217	0.020	3	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:S[5]-2:	C[6,6a](C[5,6]C[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(S[5]C[5])	C[6,6a](C[5,6]C[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	123.0470	0.000	1	123.0470	0.000	1	123.0470	0.000	1	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5]){2|C<4>,3|C<3>,3|H<1>}	121.4600	0.000	1	121.4600	0.000	1	121.9100	0.405	2	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]){1|N<2>,3|C<3>,5|H<1>}	122.3600	0.000	1	122.3600	0.000	1	121.9100	0.405	2	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]O[5])(O[5]In[3x5])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|In<6>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]O[5])(O[5]In[3x5]){1|H<1>,4|C<3>,4|O<2>}	120.0620	0.000	1	120.0620	0.000	1	121.9360	1.398	13	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(O[5]C[5])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|F<1>,3|H<1>}	121.5550	0.542	2	121.5550	0.293	2	121.9360	1.398	13	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	121.7352	0.492	5	121.7352	0.242	5	121.9360	1.398	13	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(O[5]C[5])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(O[5]C[5]){1|H<1>,1|O<2>,5|C<3>}	123.2270	0.000	1	123.2270	0.000	1	121.9360	1.398	13	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	122.2260	0.000	1	122.2260	0.000	1	121.9360	1.398	13	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	123.6660	0.000	1	123.7990	0.035	2	121.9360	1.398	13	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	123.9320	0.000	1	123.7990	0.035	2	121.9360	1.398	13	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ga<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	120.2690	0.000	1	120.2690	0.000	1	121.9360	1.398	13	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|C<4>,1|H<1>,6|C<3>}	120.4560	0.000	1	120.4560	0.000	1	122.2827	0.846	8	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	122.8210	0.000	1	122.8210	0.000	1	122.2827	0.846	8	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	123.1290	0.000	1	123.1290	0.000	1	122.2827	0.846	8	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	121.5170	0.000	1	121.5170	0.000	1	122.2827	0.846	8	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	122.8765	0.088	2	122.8765	0.008	2	122.2827	0.846	8	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	121.9210	0.000	1	121.9210	0.000	1	122.2827	0.846	8	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	122.6650	0.000	1	122.6650	0.000	1	122.2827	0.846	8	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(H){1|H<1>,1|N<3>,1|O<2>,1|S<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	122.5860	0.000	1	122.5860	0.000	1	122.5860	0.000	1	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	126.8270	0.000	1	126.8270	0.000	1	126.9265	0.118	4	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	126.5190	0.000	1	126.9597	0.170	3	126.9265	0.118	4	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,6|C<3>}	127.1800	0.219	2	126.9597	0.170	3	126.9265	0.118	4	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	126.0040	0.000	1	125.6205	0.294	2	125.6205	0.294	2	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|N<3>,6|C<3>}	125.2370	0.000	1	125.6205	0.294	2	125.6205	0.294	2	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	119.5605	0.392	2	119.8250	0.287	3	119.8250	0.287	3	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	120.3540	0.000	1	119.8250	0.287	3	119.8250	0.287	3	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5a,6]C[5])(N[5]C[5])	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5a,6]C[5])(N[5]C[5]){1|N<3>,3|C<3>,5|H<1>}	121.7720	0.045	2	121.7720	0.002	2	121.7720	0.002	2	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H){1|N<3>,2|C<3>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	122.8300	0.000	1	122.8300	0.000	1	122.8300	0.000	1	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:P[5]-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]P[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]P[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6]){1|H<1>,6|C<3>}	119.4750	0.000	1	119.4750	0.000	1	119.4750	0.000	1	122.3471	3.714	48	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6]C[5,5a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,5a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){2|N<3>,4|H<1>,5|C<3>}	124.0120	0.000	1	124.0120	0.000	1	124.0120	0.000	1	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	123.1330	0.033	2	123.1868	0.071	6	123.1868	0.071	6	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Rh<6>,2|C<4>,2|H<1>,5|C<3>}	123.2138	0.339	4	123.1868	0.071	6	123.1868	0.071	6	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	124.4150	0.000	1	124.4150	0.000	1	124.4680	0.006	2	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|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|N<3>,5|C<3>,5|H<1>}	124.5210	0.000	1	124.5210	0.000	1	124.4680	0.006	2	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,5]-3:N[5,6]-3:	C[6,6a](C[5,6]C[5,5]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	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[6,6a](C[5,6]C[5,5]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|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>}	117.2650	0.000	1	117.2650	0.000	1	117.2650	0.000	1	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	123.4790	0.361	2	123.4790	0.130	2	123.2468	0.735	6	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|O<1>,5|C<3>}	123.7920	0.000	1	123.7920	0.000	1	123.2468	0.735	6	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6])(C[5]O[5]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	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>}	124.1880	0.000	1	124.1880	0.000	1	123.2468	0.735	6	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|Br<1>,1|H<1>,1|S<4>,6|C<3>}	122.6900	0.000	1	122.6900	0.000	1	123.2468	0.735	6	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	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>}	121.8530	0.000	1	121.8530	0.000	1	123.2468	0.735	6	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	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>}	123.4900	0.000	1	123.4900	0.000	1	124.0690	0.319	3	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){2|C<4>,3|C<3>,5|H<1>}	124.0980	0.000	1	124.0980	0.000	1	124.0690	0.319	3	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	124.6190	0.000	1	124.6190	0.000	1	124.0690	0.319	3	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(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[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	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>}	122.3120	0.000	1	122.3120	0.000	1	122.0090	1.198	7	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C){4|C<3>,5|H<1>}	121.9790	0.000	1	121.9790	0.000	1	122.0090	1.198	7	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]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[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|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>}	121.1730	0.000	1	121.1730	0.000	1	122.0090	1.198	7	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	120.4460	0.000	1	120.4460	0.000	1	122.0090	1.198	7	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C){1|C<4>,3|C<3>,4|H<1>}	122.7060	0.000	1	122.7060	0.000	1	122.0090	1.198	7	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	123.8300	0.000	1	123.8300	0.000	1	122.0090	1.198	7	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	121.6170	0.000	1	121.6170	0.000	1	122.0090	1.198	7	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C){1|C<4>,1|H<1>,5|C<3>}	123.1910	0.000	1	123.1910	0.000	1	124.4451	0.893	13	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cd)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cd<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cd){1|N<3>,2|H<1>,5|C<3>}	124.0040	0.000	1	124.0040	0.000	1	124.4451	0.893	13	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	123.9280	0.000	1	123.6672	0.104	4	124.4451	0.893	13	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	123.5803	0.332	3	123.6672	0.104	4	124.4451	0.893	13	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,2|F<1>,6|C<3>}	124.4680	0.000	1	124.4680	0.000	1	124.4451	0.893	13	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,2|F<1>,6|C<3>}	124.8995	0.317	2	125.0950	0.165	3	124.4451	0.893	13	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,8|C<3>}	125.4860	0.000	1	125.0950	0.165	3	124.4451	0.893	13	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	124.3560	0.000	1	124.3560	0.000	1	124.4451	0.893	13	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	125.4930	0.000	1	125.4930	0.000	1	124.4451	0.893	13	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	126.3200	0.000	1	126.3200	0.000	1	124.4451	0.893	13	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	123.8200	0.000	1	123.8200	0.000	1	123.8200	0.000	1	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5,6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]2)(C[6a]C[6a]H){1|P<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	123.3920	0.000	1	123.3920	0.000	1	123.3920	0.000	1	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5]){5|H<1>,6|C<3>}	121.7550	0.000	1	121.7550	0.000	1	121.7550	0.000	1	123.3771	2.323	42	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,5]-3:C[5,6]-4:	C[6,6a](C[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	121.6490	0.000	1	121.6490	0.000	1	121.6490	0.000	1	122.7582	0.492	10	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	123.8555	0.332	2	123.8555	0.110	2	123.8555	0.110	2	122.7582	0.492	10	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	123.0200	0.000	1	123.0200	0.000	1	123.0200	0.000	1	122.7582	0.492	10	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	122.6600	0.173	4	122.5594	0.073	5	122.5337	0.062	6	122.7582	0.492	10	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	122.1570	0.000	1	122.5594	0.073	5	122.5337	0.062	6	122.7582	0.492	10	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){2|C<4>,4|C<3>,5|H<1>}	122.4050	0.000	1	122.4050	0.000	1	122.5337	0.062	6	122.7582	0.492	10	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,4|C<3>,4|H<1>}	121.6693	0.283	3	121.6693	0.080	3	123.0800	1.699	20	123.0800	1.699	20	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	120.8575	0.258	2	120.8575	0.067	2	123.0800	1.699	20	123.0800	1.699	20	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|N<3>,3|C<3>,4|H<1>}	121.7800	0.000	1	121.8820	0.021	2	123.0800	1.699	20	123.0800	1.699	20	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|N<3>,3|C<3>,4|H<1>}	121.9840	0.000	1	121.8820	0.021	2	123.0800	1.699	20	123.0800	1.699	20	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	122.7360	0.000	1	122.7360	0.000	1	123.0800	1.699	20	123.0800	1.699	20	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	123.5955	0.223	2	123.5705	0.018	4	123.0800	1.699	20	123.0800	1.699	20	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	123.5640	0.000	1	123.5705	0.018	4	123.0800	1.699	20	123.0800	1.699	20	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	123.5270	0.000	1	123.5705	0.018	4	123.0800	1.699	20	123.0800	1.699	20	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	124.3280	0.409	6	124.3280	0.168	6	123.0800	1.699	20	123.0800	1.699	20	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.8760	0.000	1	123.8760	0.000	1	123.0800	1.699	20	123.0800	1.699	20	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	124.2510	0.000	1	124.2510	0.000	1	123.0800	1.699	20	123.0800	1.699	20	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	124.8795	0.279	2	124.8795	0.078	2	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	121.8640	0.000	1	121.6300	0.110	2	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	121.3960	0.000	1	121.6300	0.110	2	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<3>,5|H<1>}	121.1930	0.000	1	121.1930	0.000	1	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	121.4720	0.000	1	121.4720	0.000	1	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|O<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	123.6560	0.000	1	123.6560	0.000	1	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	124.5490	0.000	1	124.5490	0.000	1	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	123.6280	0.000	1	123.6280	0.000	1	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	124.1830	0.000	1	124.1830	0.000	1	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	125.1570	0.000	1	124.6680	0.933	4	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	125.7520	0.000	1	124.6680	0.933	4	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	123.8815	0.385	2	124.6680	0.933	4	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	124.1680	0.000	1	124.6090	0.389	2	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	125.0500	0.000	1	124.6090	0.389	2	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	125.4830	0.000	1	125.4830	0.000	1	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H){1|N<3>,4|C<3>,4|H<1>}	121.9790	0.000	1	121.9790	0.000	1	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	124.1120	0.000	1	124.3180	0.033	3	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	124.4210	0.052	2	124.3180	0.033	3	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	125.0060	0.000	1	125.0060	0.000	1	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|S<2>,4|C<3>,5|H<1>}	120.7210	0.000	1	120.7210	0.000	1	123.7275	2.284	23	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	123.4050	0.000	1	123.4050	0.000	1	123.4050	0.000	1	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6]){1|C<4>,1|H<1>,7|C<3>}	124.0180	0.000	1	124.0180	0.000	1	124.1550	0.308	3	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6]){1|H<1>,7|C<3>}	124.7660	0.000	1	124.7660	0.000	1	124.1550	0.308	3	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	123.6810	0.000	1	123.6810	0.000	1	124.1550	0.308	3	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	129.2500	0.000	1	129.2500	0.000	1	129.2500	0.000	1	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	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[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	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>}	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	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[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Si<4>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	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>}	119.3255	0.570	4	119.3255	0.325	4	119.3255	0.325	4	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[6,6a](C[6,6a]Si[5,6]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[6,6a]Si[5,6]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|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>}	120.6240	0.000	1	120.6240	0.000	1	120.6240	0.000	1	123.2413	5.073	34	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:N[5]-2:	C[6,6a](C[5,6]C[5,6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[5]O[5])	C[6,6a](C[5,6]C[5,6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[5]O[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.8350	0.000	1	124.8350	0.000	1	124.8350	0.000	1	124.1435	0.956	2	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]){2|H<1>,7|C<3>}	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	124.1435	0.956	2	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]B[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	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])	C[6,6a](C[5,6]B[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|N<3>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<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]){10|C<3>,1|H<1>,1|O<1>}	123.4100	0.000	1	123.4100	0.000	1	123.4100	0.000	1	123.1212	1.246	13	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6]C[3x5,6]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[5,6]C[3x5,6]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	123.8140	0.000	1	123.8140	0.000	1	123.8140	0.000	1	123.1212	1.246	13	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6]C[3x5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[6,6a](C[5,6]C[3x5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){3|C<3>,4|C<4>,6|H<1>}	120.7960	0.000	1	120.7960	0.000	1	120.7960	0.000	1	123.1212	1.246	13	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a]){2|C<4>,2|H<1>,7|C<3>}	122.6930	0.119	2	122.6930	0.014	2	122.6930	0.014	2	123.1212	1.246	13	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	123.5100	0.000	1	123.5100	0.000	1	123.6482	1.756	5	123.1212	1.246	13	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	125.1700	0.000	1	125.1700	0.000	1	123.6482	1.756	5	123.1212	1.246	13	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]){1|C<4>,3|H<1>,8|C<3>}	121.7950	0.000	1	121.7950	0.000	1	123.6482	1.756	5	123.1212	1.246	13	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,6|C<3>}	124.6390	0.000	1	124.6390	0.000	1	123.6482	1.756	5	123.1212	1.246	13	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5]){2|Si<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	123.1270	0.000	1	123.1270	0.000	1	123.6482	1.756	5	123.1212	1.246	13	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	123.1210	0.027	2	123.1210	0.001	2	123.1210	0.001	2	123.1212	1.246	13	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H)	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[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|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>}	122.6870	0.000	1	122.6870	0.000	1	122.6870	0.000	1	123.1212	1.246	13	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	124.2615	0.414	2	124.2615	0.171	2	125.1337	2.368	3	125.6326	1.653	5	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<1>,1|O<2>,5|C<3>}	126.8780	0.000	1	126.8780	0.000	1	125.1337	2.368	3	125.6326	1.653	5	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(OH)	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[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	126.3810	0.099	2	126.3810	0.010	2	126.3810	0.010	2	125.6326	1.653	5	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(OH){1|O<2>,2|C<4>,4|C<3>}	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>}	123.5450	0.000	1	123.5450	0.000	1	123.5450	0.000	1	123.5450	0.000	1	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:2:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5]){3|O<2>,4|C<3>}	124.1930	0.000	1	124.1930	0.000	1	124.1930	0.000	1	124.1930	0.000	1	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:N[5,6]-4:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN)	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[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN){1|C<4>,1|H<1>,1|N<2>,1|N<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<3>,1|C<4>,1|N<2>,4|H<1>}	123.0400	0.000	1	123.3023	0.079	3	123.3023	0.079	3	123.3023	0.079	3	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:N[5,6]-4:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN)	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[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN){1|C<4>,1|H<1>,1|N<2>,1|N<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>}	123.4335	0.234	2	123.3023	0.079	3	123.3023	0.079	3	123.3023	0.079	3	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:P-3:	C[5,6,6a]-3:C[6,6a]-3:N[5]-2:	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(PCC)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5])	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(PCC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5]){1|P<3>,3|C<4>,4|C<3>}	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[5,6]	3:3:3:	3:3:4:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	124.6310	0.305	2	124.6310	0.093	2	124.6310	0.093	2	124.6310	0.093	2	123.0713	3.166	182	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[5]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Ir)(C[5]N[5]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5])	C[5](C[6a]C[6,6,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Ir)(C[5]N[5]2){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5]){1|Ir<6>,2|H<1>,2|N<3>,5|C<3>}	C[5](C[6a]C[6,6,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir){1|C<4>,6|C<3>}	128.3170	1.147	2	128.3170	1.315	2	128.3170	1.315	2	128.3170	1.315	2	128.3170	1.315	2	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[5]	3:2:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[5]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5]C[5]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C[5])	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5]C[5]2){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H){1|H<1>,6|C<3>}	123.3060	0.000	1	123.3060	0.000	1	123.3060	0.000	1	123.3060	0.000	1	124.2992	4.781	12	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[5]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:C[5]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5]N[5])(N[6a]C[5,6a])	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH)	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5]N[5])(N[6a]C[5,6a]){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O){1|C<4>,4|C<3>}	118.9660	0.000	1	118.9660	0.000	1	118.9660	0.000	1	118.9660	0.000	1	124.2992	4.781	12	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(O[6]C[6,6])	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(O[6]C[6,6]){1|C<3>,1|N<2>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|O<2>,3|C<3>,4|H<1>}	124.2250	1.097	2	124.2250	1.204	2	124.2250	1.204	2	124.2250	1.204	2	124.2992	4.781	12	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Ru)	C[5](C[6a]C[6,6a]C[6a])(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Ru){1|N<3>,3|C<3>,4|H<1>}	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>}	126.3883	1.325	3	126.3883	1.757	3	126.3883	1.757	3	125.1085	2.386	8	124.2992	4.781	12	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Co)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Co<4>,1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Co){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C){1|H<1>,1|N<3>,4|C<3>}	123.1055	0.477	2	123.1055	0.228	2	124.3406	1.332	5	125.1085	2.386	8	124.2992	4.781	12	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Co)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Co<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Co){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	125.1590	0.123	2	125.1590	0.015	2	124.3406	1.332	5	125.1085	2.386	8	124.2992	4.781	12	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Fe)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Fe)(N[5]C[5,6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Fe<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Fe){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Fe)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	125.1740	0.000	1	125.1740	0.000	1	124.3406	1.332	5	125.1085	2.386	8	124.2992	4.781	12	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,3|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2){3|H<1>,8|C<3>}	120.1725	0.520	2	120.1725	0.270	2	120.1725	0.270	2	120.1725	0.270	2	120.1725	0.270	2	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	122.1120	0.399	3	122.1120	0.160	3	122.1120	0.160	3	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(N[5]S[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2){2|H<1>,2|S<2>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]2)(N[5]S[5])2{4|C<3>}	119.1883	0.745	14	119.1883	0.555	14	119.1883	0.555	14	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5,6])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,2|S<2>,5|C<3>}	C[5](C[6a]C[6a,6a]2)(S[5]C[5,6])2{2|S<2>,4|C<3>}	122.7345	0.173	4	122.7345	0.030	4	122.3606	1.353	72	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5,5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(S[5]C[5,5a])2{2|S<2>,4|C<3>}	122.7185	0.850	4	122.8076	0.383	8	122.3606	1.353	72	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5,5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(S[5]C[5,5a])2{6|C<3>}	122.8967	0.388	4	122.8076	0.383	8	122.3606	1.353	72	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5,6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(S[5]C[5,6a])2{6|C<3>}	122.7210	0.776	2	122.7210	0.603	2	122.3606	1.353	72	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,2|S<2>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{2|S<2>,4|C<3>}	122.1645	0.974	2	122.2607	1.573	58	122.3606	1.353	72	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|S<2>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{2|C<4>,4|C<3>}	118.6050	0.034	2	122.2607	1.573	58	122.3606	1.353	72	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{1|C<4>,1|S<2>,4|C<3>}	122.7186	1.338	8	122.2607	1.573	58	122.3606	1.353	72	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{2|C<4>,4|C<3>}	120.7895	2.397	4	122.2607	1.573	58	122.3606	1.353	72	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{2|H<1>,4|C<3>}	122.6860	0.638	4	122.2607	1.573	58	122.3606	1.353	72	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{2|S<2>,4|C<3>}	122.5737	0.656	26	122.2607	1.573	58	122.3606	1.353	72	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{6|C<3>}	122.2514	0.776	12	122.2607	1.573	58	122.3606	1.353	72	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(C[5]S[5]2)	C[6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(S[5]C[5,6a])2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(C[5]S[5]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(S[5]C[5,6a])2{1|H<1>,5|C<3>}	123.2850	0.000	1	123.2850	0.000	1	123.2850	0.000	1	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]S[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5]2){1|H<1>,2|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]S[5])2{1|H<1>,3|C<3>}	122.8115	0.067	2	122.8115	0.005	2	122.8115	0.005	2	121.8896	2.478	92	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]N[5])(N[5]S[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,5|C<3>}	122.3950	0.000	1	122.3950	0.000	1	122.3950	0.000	1	121.4028	5.678	14	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)(S[5]C[5,6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	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>}	122.9315	0.946	4	122.9315	0.895	4	122.9315	0.895	4	121.4028	5.678	14	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Al)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]O){1|Al<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Al)(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.5443	0.448	3	123.5443	0.200	3	123.5443	0.200	3	121.4028	5.678	14	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:P[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]P[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]P[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|P<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,5|C<3>}	120.8780	0.000	1	120.8780	0.000	1	120.8780	0.000	1	121.4028	5.678	14	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|H<1>,3|C<3>}	121.7460	0.000	1	121.7460	0.000	1	118.8014	3.130	5	121.4028	5.678	14	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2){2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|P<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]C[5]){1|P<3>,2|H<1>,5|C<3>}	118.0652	0.749	4	118.0652	0.561	4	118.8014	3.130	5	121.4028	5.678	14	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	124.0330	0.000	1	124.0330	0.000	1	124.0330	0.000	1	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Cu)(C[5]S[5]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|S<2>,3|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Cu)(C[5]S[5]H){1|H<1>,4|C<3>}	122.7082	0.676	4	122.7082	0.458	4	122.7082	0.458	4	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	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>}	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	121.1170	0.000	1	121.1170	0.000	1	120.4803	0.345	3	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	120.3650	0.000	1	120.3650	0.000	1	120.4803	0.345	3	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]S){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|S<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){1|S<3>,3|H<1>,5|C<3>}	119.9590	0.000	1	119.9590	0.000	1	120.4803	0.345	3	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5,6]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	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>}	120.3630	0.000	1	120.3630	0.000	1	120.3630	0.000	1	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]O){1|Re<6>,1|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	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>}	121.9760	0.000	1	121.9760	0.000	1	121.9760	0.000	1	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,1|N<2>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2){2|H<1>,9|C<3>}	120.5565	0.523	2	120.5565	0.273	2	120.6369	0.506	8	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2){1|H<1>,9|C<3>}	120.6637	0.807	6	120.6637	0.650	6	120.6369	0.506	8	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5,6])	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]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[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5,6]){2|H<1>,9|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|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>}	119.8907	0.616	4	119.8907	0.380	4	119.8907	0.380	4	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2){2|H<1>,9|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	125.7700	0.078	2	125.7700	0.006	2	123.6195	8.995	13	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2){2|H<1>,9|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	125.8863	0.787	6	123.2285	9.700	11	123.6195	8.995	13	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2){2|H<1>,9|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	120.0392	0.407	5	123.2285	9.700	11	123.6195	8.995	13	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2){2|H<1>,2|O<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]O)2{6|C<3>}	120.3740	0.563	4	120.3740	0.317	4	120.3740	0.317	4	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(N[5]C[5,6a]Ag)(N[5]C[5,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2){1|Ag<2>,3|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]2)(N[5]C[5,6a]Ag)(N[5]C[5,6a]H){6|C<3>}	119.4567	0.522	4	119.4567	0.273	4	119.3605	0.210	6	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]C[5])(N[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2){3|H<1>,8|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]C[5])(N[5]C[5]H){8|C<3>}	119.1680	0.345	2	119.1680	0.119	2	119.3605	0.210	6	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]O)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]O)2{1|H<1>,3|C<3>,4|C<4>}	121.5590	0.004	2	121.5590	0.000	2	121.5590	0.000	2	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	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>}	121.0730	0.000	1	121.0730	0.000	1	121.7634	0.661	5	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|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>}	122.6305	0.193	2	122.6305	0.037	2	121.7634	0.661	5	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]O){3|H<1>,4|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>}	121.2415	0.285	2	121.2415	0.081	2	121.7634	0.661	5	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]Ir)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|Ir<6>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]Ir){2|C<3>,2|N<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	120.6510	0.000	1	120.6510	0.000	1	124.3959	11.910	9	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(C[5]N[5]2){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir){7|C<3>}	127.2535	1.121	2	127.2535	1.256	2	124.3959	11.910	9	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(C[5]N[5]2){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H){5|C<3>}	125.6630	0.000	1	125.6630	0.000	1	124.3959	11.910	9	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Ir)(N[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[5]N[5]2){1|Ir<6>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Ir)(N[5]C[5]H){1|O<2>,5|C<3>}	121.1820	1.697	2	121.1820	2.880	2	124.3959	11.910	9	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2){1|Pd<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C){1|P<4>,5|C<3>}	120.6500	0.000	1	120.6500	0.000	1	124.3959	11.910	9	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(C[5]N[5]2){2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C){1|C<4>,3|C<3>,3|H<1>}	127.3960	0.000	1	127.3960	0.000	1	124.3959	11.910	9	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(N[5]C[5]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(C[5]N[5]2){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(N[5]C[5]Pd){1|C<4>,3|H<1>,5|C<3>}	128.3320	0.000	1	128.3320	0.000	1	124.3959	11.910	9	121.9557	6.586	62	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5])	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,6|C<3>}	119.4215	0.043	2	119.4215	0.002	2	119.4215	0.002	2	119.4215	0.002	2	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5,6]-4:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]2)(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,6|H<1>}	126.8610	0.000	1	126.8610	0.000	1	126.8610	0.000	1	121.3970	9.666	5	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6]HH)(C[5]C[5,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2){2|C<4>,5|C<3>,5|H<1>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6]HH)(C[5]C[5,6]H){1|Cr<9>,2|C<4>,4|C<3>}	120.4130	0.103	2	120.4130	0.011	2	120.0310	0.449	4	121.3970	9.666	5	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2)	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2){1|P<3>,4|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P){6|C<3>}	119.6490	0.867	2	119.6490	0.752	2	120.0310	0.449	4	121.3970	9.666	5	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|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>}	121.6340	0.000	1	121.6340	0.000	1	121.6340	0.000	1	121.6340	0.000	1	121.8307	4.321	176	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:2:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H)	C[5,6](P[5,5,6]C[5,5,6]C[5,5]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]N[6a])	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<1>,2|H<1>,4|C<4>}	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6](P[5,5,6]C[5,5,6]C[5,5]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]N[6a]){2|C<3>,3|C<4>,4|H<1>}	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5,5,6]-3:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	120.9520	1.901	4	120.9520	3.613	4	120.9520	3.613	4	120.9520	3.613	4	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2{1|B<5>,2|C<3>,2|F<1>,3|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,6|C<3>}	122.2210	0.000	1	122.2210	0.000	1	121.9372	2.653	5	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2{1|B<5>,2|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,8|C<3>}	121.6670	0.441	2	121.6670	0.195	2	121.9372	2.653	5	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F)	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[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2{1|Si<4>,1|B<3>,1|B<5>,1|C<3>,2|C<4>,2|F<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	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>}	122.0655	3.187	2	122.0655	10.157	2	121.9372	2.653	5	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5,6,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6,6]C[5,6])(C[6a]C[6a]F)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6,6]C[5,6])(C[6a]C[6a]F)2{2|Si<4>,1|C<3>,2|F<1>,3|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	122.1820	1.952	2	122.1820	3.809	2	122.1820	3.809	2	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F)	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[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)2{1|Si<4>,1|C<3>,2|B<3>,2|C<4>,2|F<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	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>}	121.8855	1.546	2	121.8855	2.391	2	121.8855	2.391	2	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[3,5,6]B[3,3,6]P[3x3,5]C[3x6])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[3,5,6]B[3,3,6]P[3x3,5]C[3x6])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	120.8630	2.117	2	120.8630	4.482	2	120.8540	1.451	8	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2{1|B<5>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	120.8978	1.224	4	120.8978	1.498	4	120.8540	1.451	8	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[3,5,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[3,5,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|H<1>,7|C<3>}	120.7575	1.073	2	120.7575	1.151	2	120.8540	1.451	8	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	121.1825	1.473	2	121.1825	2.169	2	121.1825	2.169	2	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	117.3088	0.200	4	117.6941	0.206	8	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,6|H<1>}	118.0795	0.214	4	117.6941	0.206	8	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.2480	0.245	4	119.2480	0.060	4	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	117.4497	0.528	4	117.4497	0.278	4	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	118.5493	0.440	4	118.5493	0.194	4	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	121.2533	2.487	8	121.2533	6.183	8	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	120.2960	2.184	2	120.4375	1.831	4	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	120.5790	0.803	2	120.4375	1.831	4	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	120.8650	0.484	2	120.8401	0.232	8	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	120.8980	0.429	2	120.8401	0.232	8	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	120.8510	0.171	2	120.8401	0.232	8	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.7465	1.073	2	120.8401	0.232	8	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	120.9758	0.552	4	120.9758	0.304	4	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|P<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	120.6763	2.879	3	121.2115	3.481	11	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Pd<4>,1|C<4>,3|C<3>,4|H<1>}	122.1045	1.626	4	121.2115	3.481	11	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Rh<6>,1|C<4>,3|C<3>,4|H<1>}	120.7200	1.329	4	121.2115	3.481	11	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	121.1352	1.526	8	120.9734	1.798	16	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	120.8116	1.210	8	120.9734	1.798	16	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	121.5345	0.846	2	121.5345	0.716	2	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|C<4>,1|S<3>,2|C<3>,6|H<1>}	121.3717	0.251	4	121.3717	0.063	4	120.2909	3.370	77	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	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[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	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>}	120.8576	1.541	8	120.8576	2.375	8	120.5922	2.509	18	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|Pd<4>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	120.0020	2.805	4	120.0020	7.871	4	120.5922	2.509	18	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|Rh<6>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	120.4818	0.244	4	120.4818	0.059	4	120.5922	2.509	18	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|S<1>,2|H<1>,4|C<4>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	120.9315	0.053	2	120.9315	0.003	2	120.5922	2.509	18	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H){1|C<4>,3|H<1>,4|C<3>}	126.3300	0.000	1	126.3300	0.000	1	126.3300	0.000	1	120.5774	3.390	115	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:1:	5:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-5:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]FeH)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Fe<8>,1|C<4>,1|C<5>,1|O<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<5>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]FeH)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	123.7640	0.300	2	123.7640	0.090	2	123.7640	0.090	2	123.7640	0.090	2	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	123.9855	0.143	4	123.5285	0.258	8	123.1381	1.032	16	123.1118	0.911	19	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,6|H<1>}	123.0715	0.155	4	123.5285	0.258	8	123.1381	1.032	16	123.1118	0.911	19	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	121.6660	0.654	4	121.6660	0.427	4	123.1381	1.032	16	123.1118	0.911	19	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	123.8293	0.448	4	123.8293	0.200	4	123.1381	1.032	16	123.1118	0.911	19	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	122.9717	0.649	3	122.9717	0.421	3	122.9717	0.421	3	123.1118	0.911	19	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5,6]	3:3:3:	3:3:3:	5:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-5:C[5,6]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]FeH)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Fe<8>,1|C<4>,1|C<5>,1|O<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]C){1|C<5>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]FeH)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	116.6740	0.544	2	116.6740	0.296	2	116.6740	0.296	2	116.6740	0.296	2	120.9175	4.022	143	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	2:3:3:	3:2:3:	3:2:2:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])2	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2){1|C<3>,3|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|N<3>,3|N<2>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])2{1|N<2>,2|N<3>}	121.9260	0.000	1	121.9260	0.000	1	121.9260	0.000	1	121.9260	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	2:3:3:	3:2:3:	3:3:2:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){4|C<3>}	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>}	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	119.6497	0.474	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]N[5]2){1|In<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]In[5])(C[6a]C[6a]N[6a])(N[5]C[5,6a]H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	119.4815	0.882	2	119.4815	0.778	2	119.4815	0.778	2	119.6497	0.474	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:2:1:	3:2:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5])2{1|C<3>,1|N<2>,3|H<1>}	120.8440	0.000	2	120.8440	0.000	2	120.6800	0.081	3	120.6800	0.081	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:2:1:	3:2:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])2{1|C<3>,1|H<1>,1|N<2>}	120.3520	0.000	1	120.3520	0.000	1	120.6800	0.081	3	120.6800	0.081	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:2:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	119.6415	0.250	2	119.6415	0.062	2	120.6646	2.231	5	120.6646	2.231	5	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:2:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	119.4570	0.000	1	119.4570	0.000	1	120.6646	2.231	5	120.6646	2.231	5	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:2:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|Fe<6>,1|H<1>,1|N<2>,4|C<3>}	122.2915	0.135	2	122.2915	0.018	2	120.6646	2.231	5	120.6646	2.231	5	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:2:3:	3:3:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Pt)(N[5]C[5]C)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<2>,1|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<4>,2|N<3>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Pt)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	123.2830	0.000	1	123.5650	0.159	2	123.5650	0.159	2	123.5650	0.159	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:2:3:	3:3:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Pt)(N[5]C[5]C)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<4>,2|N<3>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<2>,1|C<4>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Pt)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	123.8470	0.000	1	123.5650	0.159	2	123.5650	0.159	2	123.5650	0.159	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:2:4:	3:3:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|O<1>,3|C<4>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3){2|C<3>,2|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2{1|C<3>,1|N<2>,5|C<4>}	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:2:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]N[6a])(N[5]S[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<2>,1|C<3>,1|H<1>,2|S<2>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]N[6a])(N[5]S[5])2{1|H<1>,2|C<3>}	119.5200	0.000	1	119.5200	0.000	1	120.5187	1.970	4	120.5187	1.970	4	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:2:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a])2{1|H<1>,4|C<3>}	122.5820	0.000	1	122.5820	0.000	1	120.5187	1.970	4	120.5187	1.970	4	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:2:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]S[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]N[6a])(N[5]S[5])2{1|H<1>,2|C<3>}	119.9865	0.298	2	119.9865	0.089	2	120.5187	1.970	4	120.5187	1.970	4	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]){3|H<1>,4|C<3>}	120.3080	0.000	1	120.3080	0.000	1	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	117.5261	1.154	8	117.7082	1.464	9	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	119.1650	0.000	1	117.7082	1.464	9	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]O[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]O[5]){1|H<1>,1|S<1>,2|C<3>}	119.8100	0.000	1	119.8100	0.000	1	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){2|C<3>,5|H<1>}	120.7210	0.000	1	120.0515	0.896	2	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){2|C<3>,5|H<1>}	119.3820	0.000	1	120.0515	0.896	2	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	122.8880	0.410	2	119.5617	0.667	99	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Fe<6>,1|H<1>,3|C<3>}	118.3115	0.690	6	119.5617	0.667	99	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Cd<6>,1|H<1>,3|C<3>}	119.1805	0.489	2	119.5617	0.667	99	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Co<6>,1|H<1>,3|C<3>}	119.6834	0.409	15	119.5617	0.667	99	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Cu<4>,1|H<1>,3|C<3>}	120.8890	0.000	1	119.5617	0.667	99	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Fe<6>,1|H<1>,3|C<3>}	119.5186	0.595	67	119.5617	0.667	99	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Hg<5>,1|H<1>,3|C<3>}	120.2190	0.000	1	119.5617	0.667	99	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Mn<6>,1|H<1>,3|C<3>}	119.9650	1.007	2	119.5617	0.667	99	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Ni<6>,1|H<1>,3|C<3>}	119.7620	0.000	1	119.5617	0.667	99	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Zn<5>,1|H<1>,3|C<3>}	120.1440	0.000	1	119.5617	0.667	99	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Zn<6>,1|H<1>,3|C<3>}	118.6580	0.000	1	119.5617	0.667	99	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	118.5690	0.008	2	118.5690	0.000	2	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|Co<6>,1|H<1>,5|C<3>}	121.0750	0.000	1	119.2843	0.662	8	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|Fe<6>,1|H<1>,5|C<3>}	118.9235	0.432	4	119.2843	0.662	8	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|H<1>,4|C<3>}	118.9425	0.043	2	119.2843	0.662	8	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){2|H<1>,5|C<3>}	119.6200	0.000	1	119.2843	0.662	8	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5a]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5a]C[5])(N[5]N[5]){1|Fe<6>,1|H<1>,5|C<3>}	119.6355	1.674	2	119.6355	2.801	2	119.4104	0.952	124	119.4104	0.952	124	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H){1|H<1>,4|C<3>}	119.4680	0.000	1	119.4680	0.000	1	115.8996	60.100	9	121.2493	81.552	15	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)2{1|H<1>,4|C<3>}	121.6160	0.000	1	121.6160	0.000	1	115.8996	60.100	9	121.2493	81.552	15	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)2{1|H<1>,4|C<3>}	104.1330	10.346	2	104.1330	107.046	2	115.8996	60.100	9	121.2493	81.552	15	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Rh)(N[5]C[5,6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Rh<6>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Rh)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	118.7450	0.000	1	118.7450	0.000	1	115.8996	60.100	9	121.2493	81.552	15	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Cd)(N[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Cd<5>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Cd)(N[5]N[5]H){1|H<1>,3|C<3>}	115.9140	0.000	1	115.9140	0.000	1	115.8996	60.100	9	121.2493	81.552	15	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2{1|H<1>,2|C<3>,4|C<4>}	119.4440	0.000	1	119.6957	0.056	3	115.8996	60.100	9	121.2493	81.552	15	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)2{1|H<1>,2|C<3>,4|C<4>}	119.8215	0.127	2	119.6957	0.056	3	115.8996	60.100	9	121.2493	81.552	15	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:O[6a]-2:C[5]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(C[5]C[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(H)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(C[5]C[5]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(H){1|H<1>,5|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>}	126.7420	0.000	1	126.7420	0.000	1	126.7420	0.000	1	121.2493	81.552	15	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:O[6a]-2:C[5]-3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(I)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(I){1|H<1>,5|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>}	130.7240	1.058	3	130.7240	1.119	3	129.7804	2.321	5	121.2493	81.552	15	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:O[6a]-2:C[5]-3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(I)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2){1|C<4>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(I){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2{1|I<1>,4|C<3>}	128.3650	0.605	2	128.3650	0.366	2	129.7804	2.321	5	121.2493	81.552	15	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC){1|H<1>,6|C<3>}	120.7233	0.313	3	120.7233	0.098	3	120.7233	0.098	3	121.2310	1.096	4	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	122.7540	0.000	1	122.7540	0.000	1	122.7540	0.000	1	121.2310	1.096	4	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:4:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]C[5]H){1|S<4>,2|H<1>,5|C<3>}	121.2740	0.000	1	121.2740	0.000	1	121.2740	0.000	1	121.2740	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[5]-4:P[5]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]P[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(P[5]C[6a]2C[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]P[5]2){2|H<1>,7|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|P<4>}	C[5](C[6a]C[6a]N[6a])(P[5]C[6a]2C[5])2{10|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.1960	0.000	1	124.1960	0.000	1	124.1960	0.000	1	124.1960	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:2:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]N[5])	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]N[5]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,2|H<1>,5|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>}	128.8370	0.058	3	128.8370	0.003	3	128.8370	0.003	3	128.8370	0.003	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(COO)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|C<4>,3|C<3>}	126.9070	0.374	3	126.9070	0.140	3	126.9070	0.140	3	126.9070	0.140	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Cl<1>,1|H<1>,4|C<3>}	124.2790	0.000	1	124.2560	0.001	2	124.2560	0.001	2	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Cl<1>,2|C<4>,3|C<3>}	124.2330	0.000	1	124.2560	0.001	2	124.2560	0.001	2	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	120.5745	0.227	2	119.7360	0.964	4	119.7309	1.504	23	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,5|H<1>}	118.8975	0.170	2	119.7360	0.964	4	119.7309	1.504	23	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5])(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5])(O[5]C[5,5]){1|C<4>,3|C<3>,3|H<1>}	119.1580	2.109	2	119.1580	4.446	2	119.7309	1.504	23	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	118.5550	1.072	4	118.8182	1.208	5	119.7309	1.504	23	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){3|H<1>,4|C<3>}	119.8710	0.000	1	118.8182	1.208	5	119.7309	1.504	23	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Fe<6>,1|H<1>,3|C<3>}	119.6987	0.654	3	119.4455	0.431	6	119.7309	1.504	23	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Pt<6>,1|H<1>,3|C<3>}	119.1923	0.677	3	119.4455	0.431	6	119.7309	1.504	23	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,5|H<1>}	120.9645	0.929	6	120.9645	0.863	6	119.7309	1.504	23	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(S[5]C[5]){3|C<3>,4|H<1>}	120.9460	0.000	1	120.9460	0.000	1	121.5705	0.326	15	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Co<6>,1|H<1>,3|C<3>}	121.5477	0.779	3	121.6151	0.319	14	121.5705	0.326	15	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Cu<6>,1|H<1>,3|C<3>}	121.6980	0.000	1	121.6151	0.319	14	121.5705	0.326	15	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Fe<6>,1|H<1>,3|C<3>}	121.6436	0.511	7	121.6151	0.319	14	121.5705	0.326	15	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Ni<6>,1|H<1>,3|C<3>}	121.5887	0.816	3	121.6151	0.319	14	121.5705	0.326	15	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(Se[5]C[5])(N[5]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]N[6a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	121.0220	0.253	2	121.0220	0.064	2	121.0220	0.064	2	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:2:2:	C[6a]-3:C[5]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	120.0590	0.000	1	120.0590	0.000	1	120.0590	0.000	1	120.6508	2.297	43	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]N[6a])(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]N[6a])(N[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	121.0760	0.000	1	121.0760	0.000	1	121.0760	0.000	1	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(O[5]P[5])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(O[5]P[5]){1|C<4>,1|W<6>,2|H<1>,4|C<3>}	121.1920	0.214	2	121.1920	0.046	2	121.1920	0.046	2	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]S[5]){2|H<1>,4|C<3>}	120.2730	0.000	1	120.2730	0.000	1	120.2730	0.000	1	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,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>}	120.3716	1.398	9	120.3716	1.955	9	121.0041	1.840	18	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,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>}	120.0950	0.000	1	120.0950	0.000	1	121.0041	1.840	18	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|H<1>,3|C<3>}	120.7860	0.000	1	120.7860	0.000	1	121.0041	1.840	18	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]Se)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	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>}	122.0957	1.266	3	122.0957	1.603	3	121.0041	1.840	18	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|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>}	122.4870	0.000	1	122.4870	0.000	1	121.0041	1.840	18	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	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>}	121.6913	0.623	3	121.6913	0.388	3	121.0041	1.840	18	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]H)(Se[5]C[5,6a])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]H)(Se[5]C[5,6a]){1|H<1>,4|C<3>}	122.3390	0.000	1	122.3390	0.000	1	122.0600	0.156	2	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(Se[5]C[5]){2|C<3>,3|H<1>}	121.7810	0.000	1	121.7810	0.000	1	122.0600	0.156	2	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Pt)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|Pt<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Pt)(O[5]C[5,6a]){1|H<1>,4|C<3>}	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:P[5]-2:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<2>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,4|C<3>}	120.7060	0.304	2	120.7060	0.092	2	120.7060	0.092	2	121.0272	1.344	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:P[5]-3:	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[6a]C[5])	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	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>}	121.8623	2.221	4	121.8623	4.933	4	121.8623	4.933	4	121.3598	1.934	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,3|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>}	123.5810	0.000	1	123.5810	0.000	1	123.5810	0.000	1	121.3598	1.934	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,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>}	120.8200	0.000	1	120.8200	0.000	1	119.7813	3.548	3	121.3598	1.934	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	120.9170	0.000	1	119.2620	5.478	2	119.7813	3.548	3	121.3598	1.934	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H){1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	117.6070	0.000	1	119.2620	5.478	2	119.7813	3.548	3	121.3598	1.934	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,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>}	121.6815	1.643	2	121.6815	2.698	2	120.6597	4.482	3	121.3598	1.934	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	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>}	118.6160	0.000	1	118.6160	0.000	1	120.6597	4.482	3	121.3598	1.934	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]Cu)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]Cu){1|C<4>,2|H<1>,4|C<3>}	121.1450	0.328	2	121.1450	0.108	2	121.1450	0.108	2	121.3598	1.934	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C)	C[6a](C[5]N[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C){3|H<1>,4|C<3>}	121.5766	0.533	14	121.5766	0.284	14	121.5766	0.284	14	121.3598	1.934	27	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:P[5]-4:	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(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[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	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>}	122.1760	0.000	1	122.1760	0.000	1	122.1760	0.000	1	123.6925	4.600	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Si[5,5]-4:	C[6a](C[5]Si[5,5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(Si[5,5]C[5]3)	C[6a](C[5]Si[5,5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,2|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>}	125.2090	0.000	1	125.2090	0.000	1	125.2090	0.000	1	123.6925	4.600	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	122.1314	0.596	5	122.1314	0.356	5	122.1314	0.356	5	122.1314	0.356	5	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6a]C[6a]N[6a])	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	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>}	120.7470	0.000	1	120.7470	0.000	1	121.4880	1.098	2	121.4880	1.098	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(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[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	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>}	122.2290	0.000	1	122.2290	0.000	1	121.4880	1.098	2	121.4880	1.098	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]N[6a])(N[5]O[5])	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]N[6a])(N[5]O[5]){1|H<1>,8|C<3>}	121.2810	0.000	1	121.2810	0.000	1	120.9180	0.264	2	120.9180	0.264	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]N[6a])(N[5]N[5])	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]N[6a])(N[5]N[5]){1|C<4>,2|H<1>,8|C<3>}	120.5550	0.000	1	120.5550	0.000	1	120.9180	0.264	2	120.9180	0.264	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<2>,1|H<1>,4|C<3>}	124.3260	0.000	2	124.3260	0.000	2	124.3260	0.000	2	124.3260	0.000	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	125.5550	0.382	2	125.5550	0.146	2	125.5550	0.146	2	122.1567	7.685	6	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	120.2790	0.000	1	120.2790	0.000	1	120.0120	0.626	3	122.1567	7.685	6	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|N<2>,3|C<3>,3|H<1>}	120.6350	0.000	1	119.8785	1.145	2	120.0120	0.626	3	122.1567	7.685	6	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<3>,1|N<2>,1|S<1>,3|H<1>}	119.1220	0.000	1	119.8785	1.145	2	120.0120	0.626	3	122.1567	7.685	6	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{1|N<2>,2|H<1>,3|C<3>}	121.7940	0.000	1	121.7940	0.000	1	121.7940	0.000	1	122.1567	7.685	6	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	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>}	120.8080	0.465	2	120.8080	0.216	2	120.8080	0.216	2	120.4024	0.436	7	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	120.7540	0.000	2	120.7540	0.000	2	120.7540	0.000	2	120.4024	0.436	7	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	120.5090	0.000	1	120.5090	0.000	1	120.5090	0.000	1	120.4024	0.436	7	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6,6a])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cd)(N[5]N[5])	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]H)(C[5]N[5]2){1|Cd<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6,6a])(H){1|C<3>,1|N<2>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cd)(N[5]N[5]){1|Cd<6>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	120.4024	0.436	7	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|S<1>,2|H<1>,3|C<3>}	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	120.4024	0.436	7	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	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>}	118.9820	2.526	3	118.9820	6.380	3	121.2108	5.031	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,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>}	122.1437	1.285	3	121.6565	3.920	15	121.2108	5.031	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	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>}	121.9387	1.843	6	121.6565	3.920	15	121.2108	5.031	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,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>}	121.1308	2.520	6	121.6565	3.920	15	121.2108	5.031	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	118.0580	0.000	1	118.0580	0.000	1	118.0580	0.000	1	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:O[6a]-2:O-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	117.8030	0.000	1	117.8950	0.017	2	117.8950	0.017	2	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:O[6a]-2:O-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	117.9870	0.000	1	117.8950	0.017	2	117.8950	0.017	2	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Br)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Br){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|Br<1>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	122.0270	0.000	1	122.0270	0.000	1	122.0270	0.000	1	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Co<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<3>}	120.3860	0.000	1	120.3860	0.000	1	120.1175	0.476	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Fe<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<3>}	120.6670	0.000	1	120.6670	0.000	1	120.1175	0.476	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Mn<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<3>}	120.9990	0.000	1	120.9990	0.000	1	120.1175	0.476	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	120.0170	0.000	1	120.0042	0.482	15	120.1175	0.476	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	120.5820	0.208	2	120.0042	0.482	15	120.1175	0.476	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	119.5062	0.696	4	120.0042	0.482	15	120.1175	0.476	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	120.9690	0.061	2	120.0042	0.482	15	120.1175	0.476	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	119.8198	0.552	6	120.0042	0.482	15	120.1175	0.476	18	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	120.3940	0.000	1	120.3940	0.000	1	117.5358	14.912	4	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	116.5830	4.114	3	116.5830	16.921	3	117.5358	14.912	4	120.2256	4.740	44	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]O[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	118.8910	0.000	1	118.8910	0.000	1	118.8910	0.000	1	118.8910	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|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>}	120.2190	0.000	1	120.2190	0.000	1	120.2190	0.000	1	121.8448	1.187	4	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	122.3867	0.134	3	122.3867	0.018	3	122.3867	0.018	3	121.8448	1.187	4	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|S<1>,2|H<1>}	121.3760	0.000	1	121.3760	0.000	1	121.3760	0.000	1	121.3760	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<2>,5|C<4>}	122.3310	0.000	1	122.3310	0.000	1	122.3310	0.000	1	122.3310	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|F<1>}	121.0590	0.000	1	121.0590	0.000	1	121.0590	0.000	1	121.0590	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:4:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	125.1330	1.409	4	125.1330	1.985	4	125.1330	1.985	4	122.8039	9.574	7	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:2:4:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(CH3){1|C<4>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.6983	0.654	3	119.6983	0.428	3	119.6983	0.428	3	122.8039	9.574	7	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	2:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	Se[5]-2:C[6a]-3:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|Se<2>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	120.9860	0.000	1	120.9860	0.000	1	120.9860	0.000	1	120.5857	1.698	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	2:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	O[5]-2:C[6a]-3:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](O[5]C[4,5,5])(C[6a]C[6a]2)(N[5]C[4,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](O[5]C[4,5,5])(C[6a]C[6a]2)(N[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	120.2620	4.046	2	120.2620	16.371	2	120.3945	1.785	14	120.5857	1.698	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	2:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	O[5]-2:C[6a]-3:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.4005	1.117	6	120.4166	0.617	12	120.3945	1.785	14	120.5857	1.698	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	2:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	O[5]-2:C[6a]-3:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.4327	0.331	6	120.4166	0.617	12	120.3945	1.785	14	120.5857	1.698	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	2:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Se[5]-2:C[6a]-3:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	121.1550	1.340	4	121.1550	1.797	4	121.1550	1.797	4	120.5857	1.698	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	2:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	O[5]-2:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](O[5]Nb[3,5,5])(C[5]C[3,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Nb<6>,1|C<3>,1|C<5>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	120.6800	0.686	4	120.6800	0.471	4	120.6800	0.471	4	120.6800	0.471	4	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	116.6757	0.806	6	116.7140	0.552	7	118.5520	13.744	9	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	116.9440	0.000	1	116.7140	0.552	7	118.5520	13.744	9	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|Se<3>,2|C<3>,2|C<4>,3|H<1>}	124.6490	0.000	1	124.9850	0.226	2	118.5520	13.744	9	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,2|C<4>,3|H<1>}	125.3210	0.000	1	124.9850	0.226	2	118.5520	13.744	9	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.0700	0.000	1	124.0700	0.000	1	124.0700	0.000	1	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	121.1130	0.000	1	121.1130	0.000	1	121.1130	0.000	1	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]N[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,1|N<2>,1|S<2>,2|F<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]N[5]){1|As<6>,2|F<1>,3|C<3>}	122.1335	0.590	2	122.1335	0.349	2	122.1335	0.349	2	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:S[5]-2:N[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]O[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]O[5]){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As[5]-2:O[5]-2:	C[6a](C[5]As[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(As[5]C[5])(O[5]P[5])	C[6a](C[5]As[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|As<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[6a]C[6a]2)(As[5]C[5])(O[5]P[5]){2|Si<4>,1|O<2>,1|W<9>,2|C<3>,2|H<1>}	120.5700	0.011	2	120.5700	0.000	2	120.5700	0.000	2	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-2:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5])(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5])(O[5]C[5]){2|H<1>,3|C<3>}	120.5715	1.593	2	120.5715	2.538	2	120.5715	2.538	2	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	116.9520	0.609	3	116.9520	0.371	3	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.9360	0.000	1	116.9360	0.000	1	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	117.0960	0.000	1	117.2846	2.349	5	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	115.8290	0.457	2	117.2846	2.349	5	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	118.8345	0.329	2	117.2846	2.349	5	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Co<5>,2|C<3>,2|C<4>,3|H<1>}	116.8100	0.759	2	116.8100	0.577	2	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Fe<6>,2|C<3>,2|C<4>,3|H<1>}	113.8050	0.000	1	113.8050	0.000	1	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|I<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	118.3007	1.174	4	118.3007	1.378	4	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	119.2050	0.000	1	118.8356	0.505	40	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.3569	0.734	11	118.8356	0.505	40	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	118.5275	0.553	4	118.8356	0.505	40	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	118.3787	0.335	17	118.8356	0.505	40	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	119.1044	0.708	5	118.8356	0.505	40	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	118.9170	0.000	1	118.8356	0.505	40	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	120.3070	0.000	1	118.8356	0.505	40	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.9890	0.000	1	120.0000	2.044	2	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	121.0110	0.000	1	120.0000	2.044	2	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	119.8420	0.000	1	119.8420	0.000	1	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.3903	0.407	3	118.3903	0.166	3	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	121.9510	0.000	1	121.9510	0.000	1	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	118.3235	1.781	2	118.3235	3.173	2	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	121.8840	0.000	1	121.8840	0.000	1	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|N<2>,3|C<3>,3|H<1>}	121.0980	0.000	1	121.6815	0.681	2	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<3>,1|N<2>,1|S<1>,3|H<1>}	122.2650	0.000	1	121.6815	0.681	2	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	120.9930	0.262	2	120.8660	1.611	4	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	119.2060	0.000	1	120.8660	1.611	4	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	122.2720	0.000	1	120.8660	1.611	4	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.5850	0.000	1	118.5850	0.000	1	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.1903	1.005	6	120.1615	0.731	8	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.0750	0.231	2	120.1615	0.731	8	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.1291	1.800	14	120.1291	3.240	14	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5]){1|O<2>,3|C<3>,4|H<1>}	120.1015	1.214	2	120.2129	0.505	10	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5]){2|C<3>,2|C<4>,4|H<1>}	120.2407	0.659	8	120.2129	0.505	10	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	120.7785	0.960	2	120.1347	1.232	22	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	120.5470	3.137	2	120.1347	1.232	22	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	119.8525	0.548	4	120.1347	1.232	22	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.8585	1.425	2	120.1347	1.232	22	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.0988	0.978	12	120.1347	1.232	22	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.1325	1.019	10	120.1325	1.039	10	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	119.9470	0.086	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|H<1>,3|C<3>}	120.1810	2.396	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	119.9090	0.124	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	121.7810	0.000	1	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,5|H<1>}	120.6360	1.674	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	120.9158	0.992	4	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,5|H<1>}	120.8390	1.178	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.4215	0.231	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	120.5655	0.286	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	120.7225	0.035	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,5|H<1>}	120.5715	0.824	8	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	120.3085	0.223	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	120.2815	0.248	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	120.4970	1.329	4	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,5|H<1>}	120.4183	1.121	4	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){4|C<3>,4|H<1>}	120.1423	1.468	8	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	120.0930	2.151	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.8990	0.000	1	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.5440	0.649	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.0260	0.605	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.6910	1.581	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.4677	1.535	8	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.5140	1.073	6	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	120.0800	1.534	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Fe<7>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9685	1.893	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.0380	1.127	44	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	118.9922	0.471	5	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	120.5992	1.456	4	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	119.9900	0.298	2	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	120.2845	1.096	26	120.2508	1.220	157	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5,6])(O[5]C[5,6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5,6])(O[5]C[5,6]){1|B<4>,2|H<1>,3|C<3>}	120.0870	1.618	2	120.0870	2.617	2	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|H<1>,4|C<3>}	119.8660	1.506	2	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	119.9090	0.420	2	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	120.4840	0.000	1	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	120.0895	0.841	2	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	120.4395	0.651	6	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	119.9580	1.390	2	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<5>,1|S<2>,2|C<3>,2|H<1>}	119.8300	2.174	2	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,1|N<2>,2|C<3>,2|H<1>}	119.6248	1.476	4	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	119.5253	2.514	10	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<4>,1|S<2>,2|C<3>,2|H<1>}	119.8475	1.311	4	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<4>,2|H<1>,3|C<3>}	120.0900	0.498	2	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	119.7110	0.331	2	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	120.0165	2.221	2	119.8830	2.247	41	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]P[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]P[5])(O[5]C[5]){1|C<4>,1|W<6>,3|C<3>,3|H<1>}	120.0430	0.940	2	120.0430	0.884	2	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|I<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	120.5100	1.386	2	120.5100	1.921	2	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	119.9385	0.186	2	119.8558	2.902	4	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,4|H<1>}	119.7730	2.940	2	119.8558	2.902	4	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|H<1>,4|C<3>}	119.2620	0.088	2	119.0862	0.032	5	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	119.0720	0.000	1	119.0862	0.032	5	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	118.9175	0.012	2	119.0862	0.032	5	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	120.8180	0.875	2	120.6330	2.844	4	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|C<3>,3|H<1>}	120.4480	2.762	2	120.6330	2.844	4	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	121.4052	0.307	4	120.6405	2.043	6	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|I<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	119.1110	1.707	2	120.6405	2.043	6	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Pd<4>,1|H<1>,1|O<1>,3|C<3>}	118.5450	0.000	1	118.5450	0.000	1	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,1|C<4>,2|C<3>,4|H<1>}	115.9200	0.000	1	118.9922	3.221	5	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,2|C<4>,3|H<1>}	119.6185	0.981	2	118.9922	3.221	5	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,5|H<1>}	119.9020	0.209	2	118.9922	3.221	5	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Sn<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Sn<4>,1|C<4>,2|C<3>,4|H<1>}	120.4310	0.000	1	120.4310	0.000	1	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	118.2470	0.805	2	118.2470	0.648	2	119.8542	1.945	369	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:P[5]-2:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|P<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(P[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	121.0205	0.453	2	121.0205	0.205	2	121.0205	0.205	2	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5]){1|C<4>,1|H<1>,3|C<3>}	117.0580	0.000	1	117.0580	0.000	1	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	118.5410	0.238	2	118.5410	0.056	2	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.2220	0.690	2	121.2220	0.476	2	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	123.8770	1.680	2	123.8770	2.823	2	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[4,5])(S[5]C[4,5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(S[5]C[4,5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.0185	2.085	2	120.0185	4.348	2	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	120.0180	1.378	4	120.0180	1.899	4	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){2|C<3>,6|H<1>}	120.3890	0.000	1	120.2196	1.291	27	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.2750	0.928	2	120.2196	1.291	27	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	120.2018	0.775	12	120.2196	1.291	27	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1930	1.741	2	120.2196	1.291	27	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.1675	1.763	6	120.2196	1.291	27	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.2945	1.578	4	120.2196	1.291	27	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5]){2|H<1>,3|C<3>}	120.1647	1.560	4	120.1647	2.434	4	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	115.4630	0.355	2	119.7867	4.793	14	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	120.7865	1.537	4	119.7867	4.793	14	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Cu<4>,1|P<4>,2|C<3>,2|H<1>}	120.7220	2.038	2	119.7867	4.793	14	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	120.0905	0.708	2	119.7867	4.793	14	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Pd<4>,2|H<1>,3|C<3>}	120.3293	1.407	4	119.7867	4.793	14	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){2|C<3>,6|H<1>}	120.3680	0.000	1	120.3680	0.000	1	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	120.6830	0.035	2	120.6830	0.001	2	120.1604	2.735	61	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]C[3,5])(N[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[3,5])(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	120.2145	0.384	2	120.2145	0.147	2	120.4411	0.489	42	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]N[5]){2|H<1>,5|C<3>}	120.0960	0.667	4	120.0960	0.445	4	120.4411	0.489	42	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]Ge[3x5])(N[5]O[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Ge<6>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]Ge[3x5])(N[5]O[5]){2|C<3>,2|H<1>,4|O<2>}	120.5617	0.581	6	120.5617	0.338	6	120.4411	0.489	42	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]Si[3x5])(N[5]O[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]Si[3x5])(N[5]O[5]){2|C<3>,2|H<1>,4|O<2>}	120.5309	0.758	18	120.5309	0.575	18	120.4411	0.489	42	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	120.0805	0.900	2	120.0747	0.367	4	120.4411	0.489	42	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|C<3>,1|N<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	120.0690	0.539	2	120.0747	0.367	4	120.4411	0.489	42	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.2130	0.206	2	120.2007	0.443	4	120.4411	0.489	42	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5]){2|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1885	1.133	2	120.2007	0.443	4	120.4411	0.489	42	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]O[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]O[5]){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	120.5160	0.013	2	120.5160	0.000	2	120.4411	0.489	42	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]In[5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|In<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(O[5]In[5])(N[5]N[5]){2|H<1>,2|S<2>,3|C<3>}	121.3270	1.225	2	121.3270	1.500	2	120.4411	0.489	42	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:P[5]-2:	C[6a](C[5]O[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a])	C[6a](C[5]O[5]P[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|P<2>}	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a]){2|H<1>,4|C<3>}	120.7895	0.828	2	120.7743	0.699	6	120.7743	0.699	6	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:P[5]-2:	C[6a](C[5]O[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a])	C[6a](C[5]O[5]P[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a]){2|H<1>,4|C<3>}	120.7668	0.968	4	120.7743	0.699	6	120.7743	0.699	6	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-2:N[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]O[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]O[5]){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	120.1060	0.000	1	120.1060	0.000	1	120.4943	1.067	19	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-2:N[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(S[5]C[3,5])(N[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(S[5]C[3,5])(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.2625	2.296	2	120.2625	5.272	2	120.4943	1.067	19	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-2:N[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.0355	1.785	2	120.5356	1.627	8	120.4943	1.067	19	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-2:N[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.7023	1.228	6	120.5356	1.627	8	120.4943	1.067	19	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-2:N[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	120.6110	0.500	4	120.5838	0.165	6	120.4943	1.067	19	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-2:N[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	120.5295	0.260	2	120.5838	0.165	6	120.4943	1.067	19	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-2:N[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(S[5]C[5,6])(N[5]N[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(S[5]C[5,6])(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	120.4860	1.184	2	120.4860	1.401	2	120.4943	1.067	19	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	120.4730	0.000	1	120.4730	0.000	1	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5]){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	120.6605	0.033	2	120.6397	0.940	6	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	120.8190	1.336	2	120.6397	0.940	6	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	120.4395	1.664	2	120.6397	0.940	6	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){2|H<1>,3|C<3>}	120.2810	2.442	2	120.5938	1.753	28	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	120.9790	1.530	2	120.5938	1.753	28	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|S<6>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){3|C<3>,3|H<1>}	120.5459	1.318	14	120.5938	1.753	28	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6265	1.705	4	120.5938	1.753	28	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	120.3970	1.537	2	120.5938	1.753	28	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){3|C<3>,3|H<1>}	120.7908	1.239	4	120.5938	1.753	28	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	120.5640	0.106	2	120.7829	1.472	16	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	120.9683	1.325	6	120.7829	1.472	16	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	120.6986	1.359	8	120.7829	1.472	16	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]S[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(Se[5]S[5])(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	120.6430	0.923	2	120.6430	0.853	2	120.6556	1.449	53	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]C[5])2(I)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])2(I){1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	121.9638	1.111	4	121.9638	1.234	4	121.9638	1.234	4	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	123.7770	0.000	1	123.7770	0.000	1	123.7770	0.000	1	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,5|C<4>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|O<2>,3|C<3>,4|H<1>}	116.4600	1.539	2	116.4600	2.367	2	116.4600	2.367	2	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	118.0010	0.445	3	118.0010	0.198	3	118.0010	0.198	3	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(C[5]S[5]2)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C[5])(H)	C[5](C[6a]C[6a,6a]C[6a])(S[5]C[5,6a])2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(C[5]S[5]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C[5])(H){2|S<2>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(S[5]C[5,6a])2{1|H<1>,5|C<3>}	116.2200	0.000	1	116.2200	0.000	1	116.2200	0.000	1	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]S[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5]2){1|H<1>,2|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])(H){1|H<1>,2|N<2>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]S[5])2{1|H<1>,3|C<3>}	116.9165	0.056	2	116.9165	0.003	2	116.9165	0.003	2	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	118.3310	0.000	1	118.3310	0.000	1	120.0187	1.809	7	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5,6])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.8990	0.000	1	117.8990	0.000	1	120.0187	1.809	7	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|N<2>,2|C<4>,2|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.7802	0.391	5	120.7802	0.153	5	120.0187	1.809	7	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5,6])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.9830	0.000	1	120.9830	0.000	1	120.8955	0.015	2	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	120.8080	0.000	1	120.8080	0.000	1	120.8955	0.015	2	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]Se)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(Se)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]Se){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(Se){1|N<2>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<1>,2|C<4>,2|H<1>,3|C<3>}	112.7000	0.000	1	112.7000	0.000	1	112.7000	0.000	1	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]S[5]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(S[5]C[5])2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]S[5]2){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|S<2>}	C[5](C[6a]C[6a]2)(S[5]C[5])2{2|C<3>,2|C<4>,2|H<1>}	117.8180	0.000	1	117.8180	0.000	1	117.8180	0.000	1	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|H<1>,2|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	121.0935	0.781	2	121.0935	0.611	2	121.0935	0.611	2	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{1|Cl<1>,1|H<1>,2|C<3>}	124.2255	0.196	2	124.2255	0.038	2	124.2255	0.038	2	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|C<3>,2|F<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|Br<1>,1|C<3>,1|F<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|F<1>}	121.4900	1.385	2	121.7984	0.392	18	122.2885	0.516	46	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|C<3>,2|F<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|F<1>}	121.8627	0.480	6	121.7984	0.392	18	122.2885	0.516	46	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|C<3>,2|F<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|F<1>}	121.8215	0.613	10	121.7984	0.392	18	122.2885	0.516	46	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(N[5]Se[5])2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){2|Se<2>,1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]Se[5])2{2|C<3>,2|F<1>}	121.7935	1.358	2	121.7935	1.845	2	122.2885	0.516	46	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|F<1>}	122.7009	0.718	8	122.7528	0.265	20	122.2885	0.516	46	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,2|F<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|F<1>}	122.7874	0.354	12	122.7528	0.265	20	122.2885	0.516	46	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|N<2>,2|F<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F){1|C<3>,1|F<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|F<1>}	122.3762	0.325	6	122.3762	0.106	6	122.2885	0.516	46	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,2|C<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	119.4440	0.255	2	119.4440	0.065	2	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]O[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]O[5]){1|H<1>,1|O<1>,3|C<3>}	117.4730	0.000	1	117.4730	0.000	1	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{1|C<4>,1|H<1>,4|C<3>}	117.0730	0.000	1	117.0730	0.000	1	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	112.5695	0.211	2	112.5695	0.045	2	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<2>,1|C<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{1|C<2>,1|H<1>,2|C<3>}	118.8190	0.000	1	118.8190	0.000	1	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{1|Cl<1>,1|H<1>,2|C<3>}	116.8550	0.444	2	116.8550	0.197	2	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{1|N<2>,2|H<1>,3|C<3>}	120.0790	0.000	1	120.0790	0.000	1	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|C<3>,2|H<1>}	121.1555	0.526	6	121.0990	0.253	7	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H){1|C<3>,2|H<1>,4|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|C<3>,2|H<1>}	120.7600	0.000	1	121.0990	0.253	7	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	119.0600	0.000	1	119.0600	0.000	1	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|Zn<5>,2|C<3>,2|H<1>}	121.2090	0.000	1	121.2090	0.000	1	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	119.7701	0.680	8	119.7701	0.463	8	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	118.9280	0.170	2	118.9280	0.029	2	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|F<1>,1|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	119.8566	0.438	16	119.8861	0.228	28	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|F<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	119.5845	0.549	4	119.8861	0.228	28	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|F<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	120.0957	0.485	8	119.8861	0.228	28	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	121.8610	0.000	1	121.0290	1.779	25	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	120.3720	1.421	2	121.0290	1.779	25	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	121.1750	2.141	2	121.0290	1.779	25	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	120.9210	0.000	1	121.0290	1.779	25	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	121.0533	1.423	18	121.0290	1.779	25	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	120.8910	0.000	1	121.0290	1.779	25	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]P[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]P[5]){1|C<4>,1|W<6>,2|H<1>,3|C<3>}	120.1350	0.495	2	120.1350	0.245	2	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|N<3>,2|H<1>,4|C<3>}	120.1005	0.984	4	120.3073	1.277	20	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|O<2>,2|H<1>,4|C<3>}	120.0860	0.222	4	120.3073	1.277	20	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|O<2>,2|H<1>,4|C<3>}	120.4072	1.219	6	120.3073	1.277	20	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|N<3>,2|H<1>,3|C<3>}	120.8020	1.138	2	120.3073	1.277	20	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])2{2|H<1>,4|C<3>}	120.3425	3.048	2	120.3073	1.277	20	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])2{2|H<1>,4|C<3>}	120.3340	1.508	2	120.3073	1.277	20	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|C<3>,2|H<1>}	120.3845	0.129	2	120.1283	0.463	62	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|C<3>,2|H<1>}	120.5730	0.912	4	120.1283	0.463	62	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|C<3>,2|H<1>}	120.2758	0.809	6	120.1283	0.463	62	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|C<3>,2|H<1>}	120.6350	0.550	8	120.1283	0.463	62	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|Mo<8>,2|C<3>,2|H<1>}	120.0170	0.412	2	120.1283	0.463	62	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|Cu<5>,2|C<3>,2|H<1>}	120.8995	0.200	2	120.1283	0.463	62	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|H<1>,4|C<3>}	120.0197	0.611	28	120.1283	0.463	62	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|C<3>,2|H<1>}	119.5964	0.540	9	120.1283	0.463	62	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|Zn<5>,2|C<3>,2|H<1>}	119.4060	0.000	1	120.1283	0.463	62	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	120.6780	0.821	8	120.5304	0.523	177	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|F<1>,1|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	120.6250	0.475	16	120.5304	0.523	177	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	120.1870	0.875	26	120.5304	0.523	177	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	120.5668	0.721	117	120.5304	0.523	177	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|S<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{1|Cr<9>,2|C<3>,2|H<1>}	120.5720	0.306	4	120.5304	0.523	177	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|S<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{1|Cr<9>,2|C<3>,2|H<1>}	120.7395	0.088	2	120.5304	0.523	177	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|S<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{1|Cr<9>,2|C<3>,2|H<1>}	120.8520	0.280	2	120.5304	0.523	177	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	120.9060	0.252	2	120.5304	0.523	177	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]Se[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|Se<2>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]Se[5])2{2|C<3>,2|H<1>}	120.0240	1.519	4	120.0240	2.308	4	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]Si[5,5])(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]Si[5,5])(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	121.3885	0.581	2	121.3885	0.337	2	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	121.7459	0.448	8	121.7459	0.201	8	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,2|H<1>,4|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|C<3>,2|H<1>}	120.5225	1.381	2	120.5225	1.907	2	120.3449	1.217	359	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:O[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,6|H<1>}	119.2705	0.192	4	119.4647	0.172	6	119.4647	0.172	6	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:O[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]O[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]O[5]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|C<4>,2|H<1>}	119.8530	0.546	2	119.4647	0.172	6	119.4647	0.172	6	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]S[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[5](C[6a]C[6a]2)(S[5]C[5])2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]S[5]2){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|S<2>}	C[5](C[6a]C[6a]2)(S[5]C[5])2{2|C<3>,2|C<4>,2|H<1>}	122.8450	0.000	1	122.8450	0.000	1	121.3130	2.041	5	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-2:S[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]S[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(S[5]C[5])(S[5]S[5])	C[6a](C[6a]C[6a]H)2(C[5]S[5]2){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|S<2>}	C[5](C[6a]C[6a]2)(S[5]C[5])(S[5]S[5]){2|H<1>,3|C<3>}	120.9300	1.321	4	120.9300	1.744	4	121.3130	2.041	5	120.2467	2.104	1015	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6,6]O)(N[5]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6,6]O)(N[5]C[5,6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	121.3535	0.804	2	121.3535	0.646	2	121.3535	0.646	2	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C[6a]-3:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[4,5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]2)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[4,5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	120.5730	0.595	2	120.5730	0.354	2	120.6921	2.956	8	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C[6a]-3:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5,6,6]C)(O[5]C[5,5,6,6])(C[6a]C[6a]2)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5,6,6]C)(O[5]C[5,5,6,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.2150	0.511	2	120.2150	0.261	2	120.6921	2.956	8	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C[6a]-3:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]2)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]2){2|H<1>,4|C<3>,4|N<3>}	120.9903	2.532	4	120.9903	6.413	4	120.6921	2.956	8	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|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>}	120.8967	0.103	4	120.8942	0.675	32	120.8942	0.675	32	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|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>}	121.6654	0.545	8	120.8942	0.675	32	120.8942	0.675	32	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|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>}	120.7895	1.028	4	120.8942	0.675	32	120.8942	0.675	32	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	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>}	120.4720	0.751	4	120.8942	0.675	32	120.8942	0.675	32	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	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>}	120.5548	0.800	12	120.8942	0.675	32	120.8942	0.675	32	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	117.8990	0.000	1	117.8990	0.000	1	120.7626	2.019	9	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.3563	1.410	4	121.3563	1.989	4	120.7626	2.019	9	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,5a]Se)(Se[5]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5a]Se)(Se[5]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.8847	0.414	4	120.8847	0.172	4	120.7626	2.019	9	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	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>}	121.0555	0.760	2	121.0555	0.578	2	120.3360	1.324	16	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	120.2332	1.180	14	120.2332	1.392	14	120.3360	1.324	16	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:C[5]-3:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]C)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]C){3|H<1>,5|C<3>}	120.2830	0.737	2	120.2830	0.543	2	120.3001	1.045	8	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:C[5]-3:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]H)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	120.3330	0.731	4	120.3330	0.535	4	120.3001	1.045	8	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:C[5]-3:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C){4|C<3>,4|H<1>}	120.2515	2.271	2	120.2515	5.155	2	120.3001	1.045	8	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-3:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]B[5,5])(N[5]C[5]C)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(O[5]B[5,5])(N[5]C[5]C){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	119.7200	2.772	2	119.7200	7.683	2	120.0305	2.885	4	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:N[5]-3:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]H){2|Br<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.3410	0.767	2	120.3410	0.588	2	120.0305	2.885	4	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:C[5]-3:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(Se[5]Se[5])(C[5]C[5]H)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(Se[5]Se[5])(C[5]C[5]H){2|H<1>,3|C<3>}	121.7020	0.245	4	121.7020	0.060	4	121.7020	0.060	4	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:O[5]-2:C[6a]-3:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|B<5>,1|B<6>,1|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){1|C<5>,2|C<3>,2|H<1>,4|B<6>}	120.4875	1.288	2	120.2806	0.926	8	120.2806	0.926	8	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:O[5]-2:C[6a]-3:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|B<6>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){2|B<5>,2|C<3>,3|B<6>,3|H<1>}	120.2117	0.970	6	120.2806	0.926	8	120.2806	0.926	8	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:C[5]-3:	C[6a](C[6a]C[5,6a]H)(C[5]C[5]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C)	C[6a](C[6a]C[5,6a]H)(C[5]C[5]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C){4|C<3>,4|H<1>}	122.2740	0.000	1	122.2740	0.000	1	122.2740	0.000	1	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:C[5]-3:	C[6a](C[6a]C[5,6a]H)(C[5]C[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C)	C[6a](C[6a]C[5,6a]H)(C[5]C[5]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C){4|C<3>,4|H<1>}	117.2640	0.000	1	117.2640	0.000	1	117.2640	0.000	1	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[3,5])(N[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[3,5])(N[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.3800	2.157	2	120.3800	4.651	2	120.2773	3.965	4	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-2:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(N[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(N[5]C[5]C){3|H<1>,5|C<3>}	120.1745	2.683	2	120.1745	7.201	2	120.2773	3.965	4	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5,6,6]C)(N[5]C[5,5,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5,5,6,6]C)(N[5]C[5,5,6,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.0735	3.512	2	120.0735	12.336	2	120.0735	12.336	2	120.6090	1.605	101	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|N<2>,3|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>}	122.8950	3.096	2	122.8950	9.583	2	122.8950	9.583	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	N[5,6]-3:C[6a]-3:N[5]-2:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](N[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]Cl)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	121.1565	1.795	2	121.1565	3.223	2	121.1565	3.223	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]F)(C[6a]C[6a]O){1|Rh<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5]){1|F<1>,1|O<2>,3|C<3>,3|H<1>}	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]O){1|Zn<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|F<1>,1|O<2>,4|C<3>}	120.1508	0.996	4	120.1508	0.991	4	120.1508	0.991	4	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|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>}	120.3755	0.948	2	120.3755	0.899	2	120.4128	0.807	4	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,5|C<3>}	120.4500	1.232	2	120.4500	1.517	2	120.4128	0.807	4	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5,5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]C[5,5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,3|H<1>,6|C<3>}	120.6440	0.724	2	120.6440	0.524	2	120.6513	0.212	4	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5,5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	120.6585	0.336	2	120.6585	0.113	2	120.6513	0.212	4	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:Se[5]-2:	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	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>}	121.0745	0.429	4	121.0745	0.184	4	120.9612	0.418	6	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:Se[5]-2:	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]Se[5])(C[6a]C[6a]2)(Se[5]Se[5])	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2{2|Se<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	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>}	120.7345	1.176	2	120.7345	1.383	2	120.9612	0.418	6	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,6|C<3>}	120.4460	0.737	2	120.4460	0.543	2	120.1018	0.519	6	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O[5]Si[5,5])	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O[5]Si[5,5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,4|C<3>}	119.9297	0.752	4	119.9297	0.565	4	120.1018	0.519	6	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	120.3840	1.130	2	120.3840	1.277	2	120.2678	4.260	4	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(N[5]Se[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(N[5]Se[5]){3|H<1>,4|C<3>}	120.1515	3.384	2	120.1515	11.448	2	120.2678	4.260	4	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6,6]C[5,6])(C[6a]C[6a]2)(O[5]P[5])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[6a]C[6a]2)(O[5]P[5]){1|Mo<6>,3|C<3>,3|C<4>,4|H<1>}	120.3990	3.367	2	120.3990	11.338	2	120.7572	2.563	12	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6,6]P[6])(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6]P[6])(C[6a]C[6a]2)(O[5]C[5,6]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	120.1015	0.128	2	120.1015	0.016	2	120.7572	2.563	12	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	120.6645	0.101	2	120.6645	0.010	2	120.7572	2.563	12	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Ge[5])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{1|Ge<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Ge[5]){1|D<1>,3|C<3>,3|C<4>,3|H<1>}	120.9035	1.071	2	120.9035	1.148	2	120.7572	2.563	12	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,5])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,5]){2|C<4>,4|C<3>,4|H<1>}	120.9490	1.732	2	120.9490	3.001	2	120.7572	2.563	12	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,6])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,6]){2|N<3>,3|H<1>,4|C<3>}	121.5255	3.201	2	121.5255	10.247	2	120.7572	2.563	12	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:S[5]-2:	C[6a](C[5]C[5,6]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]C[5,6]S[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(S[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	120.7075	0.457	2	120.7075	0.209	2	120.7075	0.209	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	118.3100	0.000	1	118.3100	0.000	1	120.3633	2.621	11	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6]){3|H<1>,6|C<3>}	120.4532	1.510	8	120.4532	2.280	8	120.3633	2.621	11	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|S<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|O<1>,3|H<1>,4|C<3>}	121.0300	2.254	2	121.0300	5.082	2	120.3633	2.621	11	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	118.8210	0.000	1	118.8210	0.000	1	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	120.1345	1.661	2	120.1345	2.759	2	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,5|C<3>}	120.9470	1.409	2	120.9470	1.984	2	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6a]){1|C<4>,2|H<1>,5|C<3>}	121.2790	0.817	4	121.2790	0.667	4	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|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>}	121.6210	3.804	2	121.0935	5.227	4	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,5|C<3>}	120.5660	0.310	2	121.0935	5.227	4	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|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>}	120.3995	1.930	2	120.3995	3.724	2	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]S[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|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>}	120.8850	1.226	2	120.8850	1.503	2	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.6490	0.789	2	120.4892	0.963	6	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	120.4030	2.015	2	120.4892	0.963	6	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	120.4155	0.237	2	120.4892	0.963	6	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	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>}	120.8965	2.693	2	120.8197	4.969	4	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	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>}	120.7430	2.762	2	120.8197	4.969	4	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,5]){1|N<3>,2|H<1>,5|C<3>}	120.0738	2.295	4	120.0738	5.266	4	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,2|H<1>,5|C<3>}	120.7541	2.009	8	120.5542	2.938	16	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,2|H<1>,5|C<3>}	120.3542	1.473	8	120.5542	2.938	16	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|H<1>,5|C<3>}	121.6220	0.587	2	120.3788	2.584	88	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,5|C<3>}	120.4790	2.021	4	120.3788	2.584	88	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|H<1>,5|C<3>}	120.2961	1.613	68	120.3788	2.584	88	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	120.0745	0.342	2	120.3788	2.584	88	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	120.6581	1.732	12	120.3788	2.584	88	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]){1|O<1>,2|H<1>,4|C<3>}	120.8825	1.484	2	120.7315	1.873	4	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	120.5805	1.824	2	120.7315	1.873	4	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	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>}	120.6985	1.378	2	120.6985	1.899	2	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|H<1>,5|C<3>}	119.0775	0.766	2	119.0775	0.586	2	120.4492	2.495	143	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.2370	0.479	2	121.2370	0.230	2	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[4,5]C)(C[6a]C[6a]2)(O[5]C[4,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[4,5]C)(C[6a]C[6a]2)(O[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	120.3370	0.880	2	120.3370	0.774	2	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5]){2|H<1>,6|C<3>}	120.2550	2.353	2	120.5850	1.361	6	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5]){1|O<2>,3|H<1>,4|C<3>}	120.7500	0.560	4	120.5850	1.361	6	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5]){2|H<1>,6|C<3>}	120.0817	1.690	4	120.1395	1.935	6	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.2550	1.031	2	120.1395	1.935	6	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]N[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]N[5,5]){1|O<2>,2|H<1>,4|C<3>}	120.5515	0.910	2	120.5515	0.828	2	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	120.6780	2.687	2	120.6780	7.220	2	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,3|H<1>,4|C<3>}	120.6020	0.325	2	120.3927	0.412	4	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5]){2|H<1>,3|C<3>,3|C<4>}	120.1835	0.977	2	120.3927	0.412	4	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.4350	1.543	2	120.4350	2.381	2	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]Se)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]Se)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.5970	3.035	2	120.5970	9.211	2	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6]){1|C<4>,3|H<1>,4|C<3>}	119.3830	2.769	2	119.3830	7.668	2	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.8282	0.502	4	120.8719	0.299	8	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	120.9155	0.663	4	120.8719	0.299	8	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,2|H<1>,7|C<3>}	120.9375	1.352	4	120.9375	1.829	4	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(O[5]P[5,6])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(O[5]P[5,6]){1|S<1>,2|C<4>,2|H<1>,3|C<3>}	120.4740	0.783	2	120.4740	0.614	2	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	120.5425	0.503	4	120.5425	0.253	4	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	121.3475	3.825	2	121.2945	11.459	4	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	121.2415	4.443	2	121.2945	11.459	4	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(O[5]Si[4,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(O[5]Si[4,5]){1|Cl<1>,2|H<1>,2|N<3>,4|C<3>}	120.9862	2.046	4	120.9862	4.187	4	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,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>}	120.3770	1.079	2	120.4138	0.791	6	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,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>}	120.4322	0.964	4	120.4138	0.791	6	120.6097	1.887	62	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[3,5]H)(C[6a]C[6a]2)(S[5]P[3,5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5]H)(C[6a]C[6a]2)(S[5]P[3,5]){1|C<4>,1|W<6>,2|H<1>,3|C<3>}	120.7305	0.217	4	120.7305	0.047	4	120.7692	0.653	61	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(S[5]C[5,6])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	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>}	120.4940	1.221	4	120.4940	1.491	4	120.7692	0.653	61	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(S[5]C[5,6])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	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>}	120.6813	0.742	3	120.6813	0.550	3	120.7692	0.653	61	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5]){2|H<1>,5|C<3>}	120.6604	0.450	7	120.5492	0.580	22	120.7692	0.653	61	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5]){2|H<1>,5|C<3>}	120.4973	0.880	15	120.5492	0.580	22	120.7692	0.653	61	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]P[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|P<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]P[5]){1|S<1>,1|S<2>,2|H<1>,4|C<3>}	120.8789	0.563	8	120.6713	0.402	12	120.7692	0.653	61	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]P[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|P<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]P[5]){1|S<1>,1|S<2>,2|H<1>,4|C<3>}	120.2563	0.624	4	120.6713	0.402	12	120.7692	0.653	61	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,5]S)(C[6a]C[6a]2)(S[5]C[5,5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]S)(C[6a]C[6a]2)(S[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.4338	0.788	6	121.4338	0.621	6	120.7692	0.653	61	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,5a]C[6a])(C[6a]C[6a]2)(S[5]C[5,5a])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	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>}	120.5575	0.021	2	120.5575	0.000	2	120.7692	0.653	61	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5]){2|H<1>,5|C<3>}	121.2650	1.038	8	121.2650	1.078	8	120.7692	0.653	61	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[5a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	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>}	120.7840	0.759	2	120.7840	0.577	2	120.6617	0.280	12	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	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>}	120.5180	0.441	2	120.5180	0.195	2	120.6617	0.280	12	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(Se[5]C[5,6])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|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>}	121.1685	0.146	2	121.1685	0.021	2	120.6617	0.280	12	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]I)(C[6a]C[6a]2)(Se[5]C[5,6])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|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>}	120.5845	0.104	2	120.5845	0.011	2	120.6617	0.280	12	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<3>,2|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>}	120.4578	0.710	4	120.4578	0.504	4	120.6617	0.280	12	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,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>}	120.0330	0.000	1	120.0330	0.000	1	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|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>}	119.0489	1.124	14	119.0489	1.264	14	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|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>}	120.6244	0.869	5	120.1418	2.002	6	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|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>}	117.7290	0.000	1	120.1418	2.002	6	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|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>}	118.8120	0.000	1	118.8120	0.000	1	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	118.3310	0.037	2	118.3310	0.001	2	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	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>}	122.0035	0.641	2	122.0035	0.411	2	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|F<1>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	118.9180	0.000	1	118.9180	0.000	1	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|S<4>,3|C<3>,3|H<1>}	120.3957	0.134	4	120.1905	0.178	6	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	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>}	119.7800	0.574	2	120.1905	0.178	6	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,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>}	120.6795	0.173	4	120.4126	0.396	24	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	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>}	120.3592	0.675	20	120.4126	0.396	24	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	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>}	120.5760	0.940	2	120.7823	0.690	10	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,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>,2|H<1>,3|C<3>}	120.5690	0.993	2	120.7823	0.690	10	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|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>}	121.1000	1.766	2	120.7823	0.690	10	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|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>}	120.8580	0.140	2	120.7823	0.690	10	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	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>}	120.8085	0.899	2	120.7823	0.690	10	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|H<1>,3|C<3>}	120.6910	0.817	8	120.6910	0.667	8	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]){2|H<1>,4|C<3>}	120.3690	1.826	2	120.6195	1.975	4	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]){3|C<3>,3|H<1>}	120.8700	1.530	2	120.6195	1.975	4	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	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>}	120.7555	2.648	2	120.7555	7.013	2	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	120.5435	0.064	2	120.5435	0.004	2	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]N[5]){2|Rh<6>,2|C<3>,2|H<1>}	120.3480	0.822	4	120.3480	0.675	4	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	120.6025	1.542	2	120.6025	2.378	2	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|C<3>,3|H<1>}	120.7640	1.072	2	120.7736	0.654	7	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|F<1>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	121.9350	0.000	1	120.7736	0.654	7	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	120.4880	0.606	4	120.7736	0.654	7	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	120.5005	0.349	2	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	120.3692	0.538	4	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	120.9065	1.826	2	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	120.3050	0.378	7	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	120.3920	0.980	4	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	120.5400	0.384	4	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	120.4568	0.712	6	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Re<6>,1|C<4>,2|C<3>,2|H<1>}	120.4040	0.722	4	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Re<6>,2|H<1>,3|C<3>}	119.9805	1.503	2	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	120.8155	0.840	4	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	120.5482	1.137	10	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	120.2997	0.841	6	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<9>,2|H<1>,3|C<3>}	120.9495	0.447	4	120.4883	0.613	59	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<4>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	121.3730	1.987	2	121.3730	3.948	2	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mo<9>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	120.6880	1.024	2	120.6880	1.048	2	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	120.8160	1.803	2	120.8160	3.251	2	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|P<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]){1|Ru<9>,2|H<1>,3|C<3>}	120.1505	3.088	2	120.2907	6.215	6	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|P<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]){1|W<6>,2|H<1>,3|C<3>}	120.3780	2.374	2	120.2907	6.215	6	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]){1|W<6>,2|H<1>,3|C<3>}	120.3435	3.980	2	120.2907	6.215	6	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	120.8380	1.352	4	120.8380	1.829	4	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]S[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]S[5]){2|C<3>,2|H<1>,2|O<1>}	120.1915	2.983	2	120.1915	8.900	2	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	120.2823	1.983	6	120.2823	3.931	6	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5]){2|C<3>,2|H<1>}	120.6450	1.705	4	120.7107	2.226	22	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5]){2|C<3>,2|H<1>}	120.7232	1.576	16	120.7107	2.226	22	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5]){2|C<3>,2|H<1>}	120.7425	0.865	2	120.7107	2.226	22	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	119.4260	0.000	1	120.7100	1.107	9	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	120.4960	0.253	2	120.7100	1.107	9	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	121.0520	1.170	2	120.7100	1.107	9	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	120.6440	1.571	2	120.7100	1.107	9	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	121.2900	1.517	2	120.7100	1.107	9	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]N[5]){2|C<3>,2|H<1>}	121.2625	0.534	2	121.2625	0.285	2	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]N)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]Se[5]N)(N[5]C[5]){2|H<1>,3|C<3>}	120.9960	2.273	2	120.9960	5.165	2	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	120.7610	0.000	1	120.7610	0.000	1	120.4302	1.385	215	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	119.4950	0.000	1	119.4950	0.000	1	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|I<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	119.3780	0.000	1	119.3780	0.000	1	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	121.2840	2.014	2	121.2840	4.056	2	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.5145	1.361	2	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){4|C<3>,4|H<1>}	120.3585	1.090	4	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	120.8830	1.304	6	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|C<3>,5|H<1>}	121.4145	0.224	2	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	120.7500	4.149	2	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	120.0940	0.670	2	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	121.0935	2.758	2	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	120.2765	1.423	2	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	119.9870	1.000	2	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|C<3>,5|H<1>}	120.3693	1.046	10	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){4|C<3>,4|H<1>}	120.2970	2.827	2	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	120.5760	1.264	2	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	121.0525	2.210	2	120.5634	1.839	40	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5]){1|S<4>,3|C<3>,3|H<1>}	121.0940	0.153	2	120.9903	0.054	4	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	120.8865	0.310	2	120.9903	0.054	4	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.8215	0.111	2	120.5196	0.861	19	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	119.6160	0.000	1	120.5196	0.861	19	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.0927	0.999	4	120.5196	0.861	19	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	120.4855	1.935	2	120.5196	0.861	19	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	120.4052	0.409	4	120.5196	0.861	19	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,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>}	121.0125	1.333	4	120.5196	0.861	19	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	120.8005	0.028	2	120.5196	0.861	19	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]N[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	119.9110	1.450	4	120.6080	3.045	20	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]N[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	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>}	120.7822	1.810	16	120.6080	3.045	20	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]P)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]P)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	120.4052	0.968	4	120.4052	0.937	4	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5]){3|C<3>,5|H<1>}	121.3035	2.710	2	121.3035	7.346	2	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5]){1|Cu<5>,2|H<1>,3|C<3>}	120.6345	1.732	2	119.9922	1.232	8	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5]){1|Zn<4>,2|H<1>,3|C<3>}	119.5465	0.478	4	119.9922	1.232	8	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5]){2|H<1>,4|C<3>}	120.2415	1.788	2	119.9922	1.232	8	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	120.5005	0.651	2	120.6908	1.372	4	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(O[5]C[5]){2|H<1>,4|C<3>}	120.8810	1.884	2	120.6908	1.372	4	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5]){2|H<1>,3|C<3>}	121.4585	0.432	2	120.7993	0.817	6	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	120.8220	1.448	2	120.7993	0.817	6	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	120.1175	0.045	2	120.7993	0.817	6	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	120.5820	0.000	1	120.5820	0.000	1	120.5560	1.665	112	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:P[5]-2:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5])	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<2>,2|C<3>,2|H<1>}	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>}	121.3225	3.290	2	121.3225	10.825	2	121.3225	10.825	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]Br)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|Br<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]Br)(S[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.2780	0.000	1	119.2780	0.000	1	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	122.7280	0.000	2	122.7280	0.000	2	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5]){3|C<3>,5|H<1>}	120.4405	1.442	2	120.4772	0.846	4	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	120.5140	0.675	2	120.4772	0.846	4	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]N[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	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>}	120.4040	0.795	2	120.4040	0.632	2	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]S[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,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>}	121.4107	0.726	4	121.4175	0.347	6	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]S[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,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>}	121.4310	0.393	2	121.4175	0.347	6	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){2|H<1>,4|C<3>}	121.9860	1.973	2	121.4098	1.382	8	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	120.8745	1.095	2	121.4098	1.382	8	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	121.9980	0.718	2	121.4098	1.382	8	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	120.7805	1.160	2	121.4098	1.382	8	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5]){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	120.7450	1.307	2	120.6460	1.130	10	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5]){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	120.6142	0.291	4	120.6460	1.130	10	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5]){2|H<1>,4|C<3>}	120.6283	1.651	4	120.6460	1.130	10	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(S[5]C[5]){2|H<1>,4|C<3>}	121.0250	0.423	2	121.0250	0.179	2	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]S)(S[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	121.2805	1.177	6	121.2805	1.386	6	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(S[5]C[5]){2|H<1>,3|C<3>}	120.5918	0.333	6	120.3807	0.937	10	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(S[5]C[5]){2|H<1>,3|C<3>}	120.0640	1.551	4	120.3807	0.937	10	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){2|H<1>,3|C<3>}	121.0300	0.243	2	120.6405	0.352	14	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){2|H<1>,3|C<3>}	120.4511	0.616	8	120.6405	0.352	14	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){2|H<1>,3|C<3>}	120.8245	0.616	4	120.6405	0.352	14	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]Si)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|Si<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]Si)(S[5]C[5]){2|H<1>,3|C<3>}	120.1290	1.160	2	120.1290	1.345	2	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(H){1|H<1>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){2|H<1>,3|C<3>}	122.0005	0.787	2	122.0005	0.619	2	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){2|H<1>,3|C<3>}	121.4415	0.641	10	121.4415	0.411	10	120.9478	0.978	79	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Se<2>,1|C<4>,1|H<1>,2|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>}	118.2763	0.821	4	118.0643	1.285	6	120.4404	2.414	34	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Se<2>,1|C<4>,1|H<1>,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>}	117.6405	1.966	2	118.0643	1.285	6	120.4404	2.414	34	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|B<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){3|C<3>,3|H<1>}	121.2141	1.464	8	121.2435	1.210	14	120.4404	2.414	34	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){3|C<3>,3|H<1>}	121.2390	0.364	4	121.2435	1.210	14	120.4404	2.414	34	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){2|C<3>,4|H<1>}	121.3700	0.535	2	121.2435	1.210	14	120.4404	2.414	34	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	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>}	120.6732	0.909	4	120.5355	1.062	10	120.4404	2.414	34	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){3|C<3>,3|H<1>}	120.4437	1.180	6	120.5355	1.062	10	120.4404	2.414	34	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(Se[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	120.9555	1.600	2	120.9555	2.561	2	120.4404	2.414	34	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	120.9560	1.157	2	120.9560	1.338	2	120.4404	2.414	34	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Fe<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	117.9254	0.897	8	117.9254	0.805	8	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ni<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	117.1590	0.000	1	117.1590	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	118.0150	0.000	1	118.0045	0.000	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){4|C<3>,4|H<1>}	117.9940	0.000	1	118.0045	0.000	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Sn<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	118.2600	0.000	1	118.2600	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	123.4070	1.467	2	129.6900	19.212	7	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	131.4435	0.446	2	129.6900	19.212	7	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	132.3010	0.000	1	129.6900	19.212	7	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Co<7>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	132.9140	0.461	2	129.6900	19.212	7	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cr)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cr)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cr<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	130.0687	0.292	4	130.0687	0.085	4	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	131.3400	0.000	1	130.6604	6.399	14	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	131.2690	0.729	4	130.6604	6.399	14	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	130.3143	3.134	9	130.6604	6.399	14	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.7160	0.648	2	117.7160	0.420	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	118.1545	0.640	2	118.0355	0.284	6	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.6610	0.000	1	118.0355	0.284	6	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	118.1470	0.000	1	118.0355	0.284	6	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	117.5480	0.320	2	118.0355	0.284	6	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Mg<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.7155	0.596	2	116.6545	0.303	11	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Mg<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.6410	0.577	9	116.6545	0.303	11	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.3688	0.737	9	119.1286	1.112	15	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	119.6662	0.277	4	119.1286	1.112	15	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	116.9725	0.134	2	119.1286	1.112	15	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.9255	0.761	6	118.0062	1.294	14	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	118.6070	0.000	1	118.0062	1.294	14	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	118.6833	0.700	4	118.0062	1.294	14	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	117.0647	1.945	3	118.0062	1.294	14	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|N<4>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	119.8460	0.000	1	119.8460	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.0390	0.450	2	117.1182	0.629	23	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	117.4400	0.000	1	117.1182	0.629	23	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.8220	0.273	4	117.1182	0.629	23	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.2467	0.604	7	117.1182	0.629	23	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	116.7360	0.000	1	117.1182	0.629	23	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.5563	0.550	8	117.1182	0.629	23	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.0290	0.199	4	118.0290	0.039	4	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<6>,1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	119.9777	0.280	3	119.9777	0.078	3	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<6>,1|C<2>,1|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.7770	0.380	3	120.7770	0.144	3	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.3010	0.000	1	120.3010	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	118.8820	0.000	1	118.8820	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.0682	0.668	5	118.0392	0.490	12	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	118.0184	0.774	7	118.0392	0.490	12	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.2660	0.000	1	120.2130	0.006	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5]){1|O<2>,3|C<3>,4|H<1>}	120.1600	0.000	1	120.2130	0.006	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.8070	0.000	1	120.8070	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Os<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	119.0040	0.000	1	119.0040	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	118.6660	0.000	1	118.6660	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.8490	0.000	1	119.3309	1.143	20	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.1780	1.341	3	119.3309	1.143	20	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	119.3271	1.089	16	119.3309	1.143	20	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.8570	0.502	5	118.8570	0.252	5	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]V)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|V<5>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]V)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.6795	0.327	2	119.6795	0.107	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	119.0060	0.962	2	119.0060	0.925	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(O[5]C[5]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	120.9050	0.000	1	120.9050	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	118.7758	0.275	5	118.7758	0.076	5	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|O<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(O[5]C[5]){1|Mn<6>,1|H<1>,1|N<2>,1|O<3>,2|C<3>}	119.0245	0.463	6	119.0245	0.215	6	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(O[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	119.6050	0.000	1	119.6050	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.7650	0.000	1	119.7650	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	117.0337	0.795	4	116.4122	1.326	6	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){1|P<4>,3|C<3>,4|H<1>}	115.1690	0.314	2	116.4122	1.326	6	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	116.8663	1.789	3	116.8663	3.199	3	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	116.8150	0.276	2	116.7580	0.048	3	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	116.6440	0.000	1	116.7580	0.048	3	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	116.5270	0.000	1	116.5270	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	117.2925	0.071	2	117.1657	0.584	6	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|P<4>,2|C<3>,2|H<1>,3|C<4>}	117.4100	0.216	2	117.1657	0.584	6	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|P<4>,2|C<3>,5|H<1>}	116.7945	1.562	2	117.1657	0.584	6	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<7>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	117.5670	0.445	2	117.5670	0.198	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|S<4>,3|C<3>,4|H<1>}	118.8150	0.000	1	118.5077	0.079	3	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	118.3540	0.127	2	118.5077	0.079	3	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	116.6945	0.043	2	116.6945	0.002	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){1|Rh<4>,2|H<1>,3|C<3>}	120.2355	3.146	2	120.2355	9.897	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Cu<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){3|C<3>,3|H<1>}	120.2295	0.506	2	120.2295	0.256	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Ir<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){3|C<3>,5|H<1>}	121.1675	2.317	2	121.1675	5.369	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Mg<7>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	120.7331	1.395	8	120.7331	1.946	8	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|C<3>,6|H<1>}	120.8590	0.246	2	120.5863	1.458	8	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|C<3>,6|H<1>}	120.6535	0.207	2	120.5863	1.458	8	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|C<3>,6|H<1>}	120.4163	1.810	4	120.5863	1.458	8	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	120.3287	1.754	7	120.3287	3.078	7	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Zn<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){2|C<3>,6|H<1>}	120.1260	1.653	2	120.1260	2.733	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){3|C<3>,3|H<1>}	120.7003	1.121	3	120.9108	1.968	9	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){3|C<3>,3|H<1>}	121.0160	1.614	6	120.9108	1.968	9	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Ir)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Ir)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){3|C<3>,3|H<1>}	118.8645	0.028	2	118.8645	0.001	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){2|H<1>,3|C<3>}	120.2445	2.555	2	120.2445	6.527	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	122.4900	0.000	1	124.5201	1.277	8	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<7>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	124.0640	0.279	2	124.5201	1.277	8	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	124.9440	0.000	1	124.5201	1.277	8	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){2|C<3>,5|H<1>}	124.7950	0.000	1	124.5201	1.277	8	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){3|C<3>,4|H<1>}	126.3700	0.000	1	124.5201	1.277	8	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){3|H<1>,4|C<3>}	124.7170	0.752	2	124.5201	1.277	8	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5]){1|H<1>,3|C<3>}	126.8955	0.794	2	126.8955	0.631	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Os)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Os<9>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(O[5]C[5]){2|C<3>,5|H<1>}	124.2140	0.000	1	124.2140	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|C<3>,5|H<1>}	122.5650	0.000	1	130.4381	5.164	15	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	130.7532	0.230	6	130.4381	5.164	15	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	130.8845	0.843	4	130.4381	5.164	15	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	131.8837	0.340	3	130.4381	5.164	15	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|H<1>,3|C<3>}	130.2990	0.000	1	130.4381	5.164	15	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	130.6215	0.357	2	130.6215	0.128	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){2|C<3>,3|H<1>}	124.2570	0.000	1	130.7645	19.286	4	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){3|C<3>,4|H<1>}	133.2830	0.000	1	130.7645	19.286	4	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	133.5370	0.000	1	130.7645	19.286	4	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){2|H<1>,3|C<3>}	131.9810	0.000	1	130.7645	19.286	4	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	130.4725	0.240	2	130.4725	0.057	2	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Sn<5>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	121.9660	1.038	2	121.6140	0.404	5	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Sn<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	121.2850	0.000	1	121.6140	0.404	5	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Sn<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	121.4265	0.336	2	121.6140	0.404	5	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Te)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Te)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Te)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Te<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Te)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	123.5100	0.000	1	123.5100	0.000	1	120.8948	22.831	291	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:P[5]-2:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ba)(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|Ba<10>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ba)(P[5]C[5]){2|H<1>,3|C<3>}	120.9844	0.766	8	121.0750	0.830	12	121.1910	1.180	50	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:P[5]-2:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ba)(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|Ba<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ba)(P[5]C[5]){2|H<1>,3|C<3>}	121.2562	1.267	4	121.0750	0.830	12	121.1910	1.180	50	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:P[5]-2:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(P[5]C[5]){2|H<1>,3|C<3>}	120.6450	0.731	2	120.6450	0.535	2	121.1910	1.180	50	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:P[5]-2:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sm)(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|Sm<11>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Sm)(P[5]C[5]){2|H<1>,3|C<3>}	120.8199	0.662	8	121.2601	1.349	36	121.1910	1.180	50	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:P[5]-2:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sm)(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|Sm<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Sm)(P[5]C[5]){2|H<1>,3|C<3>}	121.3858	1.250	28	121.2601	1.349	36	121.1910	1.180	50	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Be)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Be<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Be)(S[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	120.4170	0.000	1	120.4170	0.000	1	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(S[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	117.9640	0.000	1	117.9640	0.000	1	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(S[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	119.7810	1.101	8	119.7810	1.212	8	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(S[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	119.0500	0.000	1	119.0500	0.000	1	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]V)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|V<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]V)(S[5]C[5]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	120.8050	0.000	1	120.8050	0.000	1	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,1|S<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5]){2|C<3>,4|H<1>}	119.7800	0.000	1	119.7800	0.000	1	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]){1|S<1>,2|H<1>,3|C<3>}	120.3930	1.573	2	120.3455	3.818	4	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]){1|S<1>,2|H<1>,3|C<3>}	120.2980	2.995	2	120.3455	3.818	4	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	120.2782	0.538	4	120.2782	0.290	4	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(S[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	120.6385	1.598	4	120.6385	2.552	4	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(S[5]C[5]){2|H<1>,3|C<3>}	120.8575	1.128	4	120.8575	1.273	4	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,1|S<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5]){2|C<3>,4|H<1>}	120.8120	0.000	1	120.8120	0.000	1	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|S<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(S[5]C[5]){2|C<3>,3|H<1>}	123.3233	0.487	3	123.3233	0.237	3	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ni)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ni)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(S[5]C[5]){3|C<3>,4|H<1>}	131.7970	0.222	2	131.7970	0.049	2	121.1177	9.202	35	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|N<2>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	122.0120	0.000	1	122.0120	0.000	1	120.3218	2.287	19	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,3|C<4>,6|H<1>}	120.1170	0.684	2	120.3512	0.335	6	120.3218	2.287	19	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	120.4683	0.590	4	120.3512	0.335	6	120.3218	2.287	19	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,3|C<3>,6|H<1>}	120.3828	1.669	4	120.3828	2.784	4	120.3218	2.287	19	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.9190	0.689	2	119.9190	0.474	2	120.3218	2.287	19	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cd<6>,1|S<2>,2|H<1>,3|C<3>}	120.2475	1.771	2	120.1045	5.434	6	120.3218	2.287	19	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cu<4>,1|S<2>,2|H<1>,3|C<3>}	120.0130	3.456	2	120.1045	5.434	6	120.3218	2.287	19	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ni<4>,1|S<2>,2|H<1>,3|C<3>}	120.0530	3.468	2	120.1045	5.434	6	120.3218	2.287	19	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:N[5]-2:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(N[5]N[5]){1|S<4>,3|H<1>,5|C<3>}	120.1770	3.622	2	120.1770	13.117	2	120.1770	13.117	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5,6a]){2|H<1>,4|C<3>}	120.9300	3.493	2	120.9300	12.202	2	120.9300	12.202	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	118.4420	0.000	1	118.4420	0.000	1	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	118.1375	0.189	2	118.1375	0.036	2	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	117.2280	0.000	1	117.2280	0.000	1	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	119.0168	0.175	4	119.0168	0.031	4	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Be<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	121.7315	0.081	2	121.7315	0.007	2	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	118.5490	0.000	1	119.8453	1.279	3	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<8>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	120.4935	0.193	2	119.8453	1.279	3	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Os<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	119.1118	0.895	5	119.1118	0.802	5	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	120.2195	0.285	2	120.2195	0.081	2	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	118.4290	0.000	1	118.4290	0.000	1	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	118.4080	0.023	2	118.4080	0.001	2	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	117.0090	0.000	1	117.3643	0.150	3	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	117.5420	0.332	2	117.3643	0.150	3	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5]Rh)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	C[5](N[5]C[5,5]Rh)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	117.1480	0.000	1	117.1480	0.000	1	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|Cu<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	119.8630	0.000	1	120.5760	0.893	3	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Cu<4>,2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	120.9325	1.012	2	120.5760	0.893	3	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5]Pd)(C[6a]C[6a]2)(O[5]N[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,5]Pd)(C[6a]C[6a]2)(O[5]N[5,5]){2|C<3>,2|C<4>,3|H<1>}	120.2590	0.967	2	120.2590	0.936	2	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5]Pt)(C[6a]C[6a]2)(O[5]N[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,5]Pt)(C[6a]C[6a]2)(O[5]N[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1092	1.819	10	120.1092	3.310	10	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|Cu<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	122.5250	0.000	1	122.5250	0.000	1	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|Rh<6>,2|H<1>,5|C<3>}	120.3670	4.839	2	120.3978	14.291	4	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){3|H<1>,5|C<3>}	120.4285	4.410	2	120.3978	14.291	4	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|Ir<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	123.1760	0.503	2	123.2355	0.954	11	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|Ir<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	121.9200	0.656	2	123.2355	0.954	11	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	123.5552	0.596	5	123.2355	0.954	11	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|Ir<7>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	123.8115	1.669	2	123.2355	0.954	11	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	125.0709	0.825	8	125.4975	0.993	15	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|N<3>,2|O<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	125.6435	0.384	2	125.4975	0.993	15	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	126.4610	0.000	1	125.4975	0.993	15	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<7>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	126.0370	1.341	4	125.4975	0.993	15	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<3>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	124.1600	0.000	1	124.1600	0.000	1	121.3671	8.608	74	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,5|C<3>}	116.5910	0.055	2	116.5910	0.003	2	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	118.2770	0.078	2	118.2770	0.006	2	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	120.3328	0.555	4	120.3328	0.308	4	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Be<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	120.7645	0.254	2	120.7645	0.064	2	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	117.7960	0.000	2	117.7960	0.000	2	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	119.4300	0.000	1	119.4300	0.000	1	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	118.7170	0.000	1	118.7170	0.000	1	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	119.8921	0.586	7	119.9502	0.417	9	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<3>,1|S<2>}	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	120.1535	1.078	2	119.9502	0.417	9	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<2>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	118.4600	0.000	1	118.9282	0.359	5	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	119.4510	0.636	2	118.9282	0.359	5	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<3>,1|S<2>}	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	118.6395	0.312	2	118.9282	0.359	5	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<2>,2|N<3>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	122.0670	0.000	1	122.0670	0.000	1	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|Al<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	120.3645	0.233	2	120.3665	0.622	4	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|Al<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	120.3685	1.346	2	120.3665	0.622	4	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	122.0540	3.155	2	122.0540	9.955	2	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	120.8438	1.206	4	120.8438	1.455	4	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	121.3065	1.889	2	121.3065	3.567	2	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]){3|H<1>,5|C<3>}	120.6980	0.915	2	120.3712	2.627	6	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]){1|Rh<6>,2|H<1>,5|C<3>}	119.9880	2.307	2	120.3712	2.627	6	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]){3|H<1>,5|C<3>}	120.4275	2.542	2	120.3712	2.627	6	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|Ir<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	124.4290	0.658	2	124.4290	0.432	2	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6]Ir)(C[6a]C[6a]2)(S[5]C[5,6])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6]Ir)(C[6a]C[6a]2)(S[5]C[5,6]){1|C<2>,1|H<1>,3|C<3>}	125.5990	0.000	1	125.5990	0.000	1	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	124.1415	0.622	4	124.4956	0.668	80	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	124.9613	0.171	6	124.4956	0.668	80	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|F<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	124.9080	0.168	2	124.4956	0.668	80	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	124.4505	0.846	60	124.4956	0.668	80	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	124.9330	0.998	2	124.4956	0.668	80	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|N<3>,1|S<2>,2|C<3>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	125.5955	0.732	2	124.4956	0.668	80	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<7>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	123.8530	0.581	4	124.4956	0.668	80	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	122.1230	0.000	1	124.6957	6.170	3	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	125.9820	1.553	2	124.6957	6.170	3	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,6]Pt)(C[6a]C[6a]2)(S[5]C[5,6])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6]Pt)(C[6a]C[6a]2)(S[5]C[5,6]){1|C<2>,1|H<1>,3|C<3>}	130.3060	0.000	1	130.3110	0.000	2	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,6]Pt)(C[6a]C[6a]2)(S[5]C[5,6])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6]Pt)(C[6a]C[6a]2)(S[5]C[5,6]){1|H<1>,4|C<3>}	130.3160	0.000	1	130.3110	0.000	2	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	123.9020	0.000	1	123.9020	0.000	1	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Rh)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Rh)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	124.5575	0.284	2	124.5575	0.080	2	123.0306	6.777	138	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]2)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]2)(H){1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	119.5190	0.000	1	119.5190	0.000	1	121.3768	1.006	6	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|S<2>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	121.7484	0.471	5	121.7484	0.222	5	121.3768	1.006	6	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	119.8372	0.881	5	120.2130	1.469	6	120.2130	1.469	6	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	122.0920	0.000	1	120.2130	1.469	6	120.2130	1.469	6	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	117.3550	0.000	1	117.3550	0.000	1	117.3550	0.000	1	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|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>}	121.4993	0.317	6	121.4993	0.100	6	121.4993	0.100	6	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)(H){1|Se<2>,1|H<1>,1|N<3>,2|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>}	122.5515	0.583	4	122.5515	0.340	4	122.4435	0.507	6	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|N<2>,3|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>}	122.2275	1.172	2	122.2275	1.373	2	122.4435	0.507	6	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|Fe<5>,2|C<4>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.4913	0.400	4	120.4913	0.160	4	120.4913	0.160	4	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]N[5])(N[5]S[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,5|C<3>}	116.6830	0.000	1	116.6830	0.000	1	116.6830	0.000	1	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)(S[5]C[5,6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	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>}	117.6270	0.769	4	117.6270	0.592	4	117.6270	0.592	4	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:P[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]P[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]P[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<2>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,5|C<3>}	118.6270	0.000	1	118.6270	0.000	1	118.6270	0.000	1	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]C)(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]C)(H){1|N<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|H<1>,3|C<3>}	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[6a]C[5,6a]H)(C[5]N[5]S[5])(C[6a]C[6a]Ir)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]S[5])(C[6a]C[6a]Ir){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|Ir<6>,1|N<3>,1|S<2>,2|C<4>,3|C<3>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	124.7530	0.314	2	124.7530	0.099	2	124.7530	0.099	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:Se[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[5]C[5,6]Br)(C[6a]C[6a]2)(Se[5]C[5,6])	C[6a](C[6a]C[6a,6a]H)(C[5]Se[5]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|Se<2>,2|H<1>,4|C<3>}	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>}	120.0585	0.063	2	120.0585	0.004	2	120.0585	0.004	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5])(C[6a]C[6a]Ir)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5])(C[6a]C[6a]Ir){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|Ir<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	124.6100	0.540	2	124.6100	0.292	2	124.6100	0.292	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:Se[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[5]C[5,6]Br)(C[6a]C[6a]2)(Se[5]C[5,6])	C[6a](C[6a]C[6a,6a]H)(C[5]Se[5]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|Se<2>,1|H<1>,3|C<3>}	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>}	121.4910	0.334	2	121.4910	0.111	2	121.4910	0.111	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[6a]C[6,6a]C)(C[5]C[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[6a]C[6,6a]C)(C[5]C[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	119.6780	0.000	1	119.6780	0.000	1	119.6780	0.000	1	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|Pd<5>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|N<3>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	118.2470	0.000	1	118.2470	0.000	1	117.8375	0.335	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[6a]C[6a,6a]N[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[6a]C[6a,6a]N[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|O<2>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	117.4280	0.000	1	117.4280	0.000	1	117.8375	0.335	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Cl<1>,1|S<1>,2|C<3>,2|H<1>}	122.5490	0.000	1	122.3720	0.063	2	122.3720	0.063	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Cl<1>,1|S<1>,2|C<3>,2|H<1>}	122.1950	0.000	1	122.3720	0.063	2	122.3720	0.063	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cl<1>,1|S<1>,2|H<1>,4|C<3>}	122.5923	0.424	3	122.5923	0.180	3	122.5923	0.180	3	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(N[5]S[5]As)(N[5]C[5])	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|As<6>,1|S<2>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,1|N<2>,1|N<3>,2|F<1>}	C[5](C[6a]C[6a]2)(N[5]S[5]As)(N[5]C[5]){2|F<1>,3|C<3>}	120.9845	0.838	2	120.9845	0.702	2	120.9845	0.702	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|N<2>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5]){3|H<1>,5|C<3>}	117.6990	0.000	1	117.6990	0.000	1	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Cl<1>,1|S<1>,2|C<3>,2|H<1>}	118.9510	0.000	1	119.3615	0.337	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Cl<1>,1|S<1>,2|C<3>,2|H<1>}	119.7720	0.000	1	119.3615	0.337	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	121.0140	0.000	1	121.4027	2.767	3	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	121.5970	2.304	2	121.4027	2.767	3	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]){1|H<1>,1|O<2>,4|C<3>}	120.5100	0.000	1	120.4940	0.001	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]){1|O<2>,2|H<1>,3|C<3>}	120.4780	0.000	1	120.4940	0.001	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	119.5828	0.894	4	119.7598	2.448	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	120.1140	3.077	2	119.7598	2.448	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(N[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	121.0280	0.000	1	121.0280	0.000	1	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	118.2160	0.478	2	118.2160	0.228	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,1|H<1>,1|O<2>,3|C<3>}	119.6985	0.073	2	120.0800	0.242	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5]){1|Mn<8>,1|H<1>,1|O<2>,3|C<3>}	120.4615	0.373	2	120.0800	0.242	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	116.8883	0.421	3	116.8883	0.178	3	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<4>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|S<1>,2|H<1>}	120.7810	0.000	1	120.7810	0.000	1	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	121.4210	0.569	2	121.4210	0.323	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	118.5290	0.000	1	118.5290	0.000	1	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	119.0315	0.012	2	119.0315	0.000	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(N[5]C[5]){3|H<1>,5|C<3>}	120.6465	2.389	2	120.6465	5.709	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6]C)(N[5]N[5,6])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,6]C)(N[5]N[5,6]){1|B<4>,2|H<1>,3|C<3>}	119.9895	1.087	2	119.9895	1.181	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	120.4005	1.549	14	120.4005	2.399	14	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|P<3>,2|C<3>,2|H<1>}	120.4955	1.995	2	120.2623	3.651	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	120.2470	2.782	2	120.2623	3.651	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	120.0445	2.517	2	120.2623	3.651	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]O[5]){3|C<3>,3|H<1>}	120.1795	0.346	2	120.1795	0.120	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5]){2|H<1>,4|C<3>}	120.3124	0.920	8	120.3124	0.847	8	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	120.6315	1.262	2	120.5342	1.255	26	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	120.9620	1.868	2	120.5342	1.255	26	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<6>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){4|C<3>,4|H<1>}	120.0150	1.410	2	120.5342	1.255	26	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	120.7945	0.996	4	120.5342	1.255	26	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	120.4505	0.601	8	120.5342	1.255	26	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.0300	2.910	2	120.5342	1.255	26	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.3580	2.137	2	120.5342	1.255	26	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	119.9390	0.912	2	120.5342	1.255	26	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	121.6185	0.231	2	120.5342	1.255	26	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	120.8080	0.651	2	120.3500	0.773	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	119.8920	1.028	2	120.3500	0.773	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]O[5]){2|H<1>,4|C<3>}	120.2322	1.263	4	120.2322	1.596	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]N[5]){2|H<1>,4|C<3>}	120.3759	1.117	8	120.3759	1.248	8	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	120.8460	4.441	4	120.8460	19.724	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	118.2780	0.014	2	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	117.6800	0.872	3	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	120.2770	4.837	2	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	120.2996	3.084	8	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	120.4613	2.716	4	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	120.4255	2.775	2	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	120.8555	3.543	2	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	120.5570	0.925	2	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	120.0828	2.074	4	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	120.7275	3.518	2	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Sn<4>,1|S<1>,2|C<3>,2|H<1>}	121.8025	5.338	2	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Zn<4>,2|H<1>,3|C<3>}	120.3814	2.287	8	120.1588	6.477	41	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]O[5]){2|H<1>,4|C<3>}	120.4260	0.795	2	120.4260	0.632	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	120.5400	4.394	2	120.7397	8.196	9	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	120.3820	3.028	4	120.7397	8.196	9	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){2|H<1>,3|C<3>,3|C<4>}	120.9030	3.982	2	120.7397	8.196	9	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	122.2430	0.000	1	120.7397	8.196	9	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	119.5045	2.135	2	119.7488	2.787	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5]){3|C<3>,5|H<1>}	119.9930	1.888	2	119.7488	2.787	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5,5]C)(N[5]C[5,5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5,5]C)(N[5]C[5,5]){1|C<4>,2|H<1>,4|C<3>}	120.3565	1.488	2	120.3565	2.216	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5]){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	120.1415	2.401	2	120.1440	3.157	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5]){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	120.1465	1.925	2	120.1440	3.157	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5]){2|H<1>,5|C<3>}	120.6540	5.561	2	120.4155	11.827	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	120.1770	2.082	2	120.4155	11.827	4	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	119.7835	1.411	2	119.7835	1.990	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	120.6085	4.569	2	120.6085	20.872	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	120.4210	4.052	2	120.4210	16.416	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	120.5190	3.435	2	120.5190	11.800	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	120.0627	0.772	4	120.2602	0.976	10	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	120.5275	1.688	2	120.2602	0.976	10	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	120.3240	1.130	4	120.2602	0.976	10	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	120.5050	4.118	2	120.5050	16.959	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ni<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	120.2147	2.656	6	120.4817	9.530	18	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	120.6152	3.386	12	120.4817	9.530	18	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(N[5]N[5]){1|Pd<4>,2|C<3>,2|H<1>}	121.6888	1.030	6	121.6888	1.061	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	120.1875	3.535	2	120.1875	12.495	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	120.3403	1.415	12	120.4837	3.174	22	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	120.7653	1.644	6	120.4837	3.174	22	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	120.4915	3.183	4	120.4837	3.174	22	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	120.1390	5.460	2	120.2735	10.117	8	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	120.1345	5.013	2	120.2735	10.117	8	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	120.4103	2.290	4	120.2735	10.117	8	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	122.7770	0.024	2	122.8158	0.848	5	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	122.8417	1.301	3	122.8158	0.848	5	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	119.3500	0.881	2	119.3500	0.776	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	121.0995	3.242	2	121.0995	10.511	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<3>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5]){1|S<3>,2|C<3>,3|H<1>}	121.3505	1.087	2	121.3505	1.181	2	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|Co<6>,2|H<1>,3|C<3>}	121.0452	1.366	4	121.0487	1.164	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	121.0555	0.472	2	121.0487	1.164	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	121.3645	4.518	2	121.2195	10.734	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	121.1470	3.327	4	121.2195	10.734	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5]){1|Co<6>,2|H<1>,3|C<3>}	121.0915	0.755	6	121.0915	0.570	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(N[5]N[5]){1|Pd<4>,2|C<3>,2|H<1>}	118.5762	0.883	6	118.5762	0.781	6	120.3704	4.195	287	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|Mg<4>,1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	118.8800	0.000	1	118.8800	0.000	1	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ir<6>,1|C<4>,1|H<1>,5|C<3>}	119.1712	0.567	6	119.1712	0.322	6	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cl<1>,1|S<1>,2|H<1>,4|C<3>}	118.7983	0.215	3	118.7983	0.046	3	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	118.2320	0.000	1	118.2320	0.000	1	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	118.2060	0.000	1	118.2060	0.000	1	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	118.8270	0.000	1	118.8270	0.000	1	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	122.7570	0.000	1	123.1383	0.806	3	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<2>,1|S<1>,2|H<1>,4|C<3>}	123.3290	1.181	2	123.1383	0.806	3	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<4>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<4>,3|C<3>,5|H<1>}	117.6280	0.000	1	117.6280	0.000	1	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|S<1>,2|H<1>,3|C<3>}	120.9280	0.000	1	120.9280	0.000	1	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Mg<5>,1|B<5>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,1|O<3>,2|H<1>,3|C<3>}	120.2730	0.000	1	120.2730	0.000	1	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	118.9340	0.000	1	118.9340	0.000	1	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Mg<5>,1|B<5>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,1|O<3>,2|H<1>,3|C<3>}	119.9530	0.000	1	119.9530	0.000	1	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	120.3114	1.230	8	120.2870	1.603	12	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	120.2382	1.529	4	120.2870	1.603	12	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6]C[6a])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5,6]C[6a])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	120.3455	1.300	2	120.3455	1.691	2	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]B[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]B[5]){2|C<4>,3|H<1>,4|C<3>}	121.0715	8.701	2	121.0715	75.707	2	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]){1|O<1>,2|H<1>,6|C<3>}	120.5872	3.093	4	120.5872	9.567	4	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	120.2349	0.522	10	120.2079	1.012	14	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	120.0930	3.096	2	120.2079	1.012	14	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,6|C<3>}	120.1880	1.042	2	120.2079	1.012	14	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	120.1110	3.700	4	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	120.4655	4.898	2	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	120.8215	0.097	2	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	120.2985	1.176	2	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,3|H<1>,4|C<3>}	120.3035	4.540	4	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	120.2414	3.715	10	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Pd<4>,2|H<1>,5|C<3>}	120.1140	1.980	2	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Re<5>,2|H<1>,5|C<3>}	120.5067	1.423	8	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Rh<4>,1|C<4>,2|H<1>,4|C<3>}	120.0825	1.651	4	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Rh<5>,1|C<4>,2|H<1>,4|C<3>}	120.1935	2.908	2	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ru<5>,2|H<1>,5|C<3>}	120.5115	1.508	2	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ru<6>,2|H<1>,5|C<3>}	121.0850	3.603	2	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Tc<5>,2|H<1>,5|C<3>}	120.9930	4.520	2	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,6|C<3>}	120.2912	2.723	4	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|S<1>,3|H<1>,4|C<3>}	120.4175	2.807	2	120.3735	6.990	52	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	120.5825	0.110	2	121.0183	2.438	7	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){2|C<4>,2|H<1>,4|C<3>}	120.7835	1.892	4	121.0183	2.438	7	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	122.8290	0.000	1	121.0183	2.438	7	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]S[5]){1|N<2>,2|H<1>,4|C<3>}	120.5260	3.794	2	120.5260	14.397	2	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	120.9035	7.736	2	120.9035	59.853	2	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|S<1>,2|H<1>,4|C<3>}	119.6260	3.063	2	119.6305	14.832	4	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|S<1>,3|H<1>,4|C<3>}	119.6350	5.926	2	119.6305	14.832	4	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|S<1>,3|H<1>,4|C<3>}	121.0028	2.134	6	121.0028	4.553	6	120.2983	5.708	128	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|C<4>,3|O<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	114.8540	0.000	2	114.8540	0.000	2	114.8540	0.000	2	120.8129	6.977	1860	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	P[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]Br)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|P<3>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]Br)(C[6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	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[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|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>}	121.7913	1.313	4	121.7913	1.723	4	121.7913	1.723	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,5,6]-3:C[6a]-3:	C[6a](C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2){3|Cl<1>,2|C<4>,7|C<3>}	121.8325	0.313	2	121.8325	0.098	2	121.8325	0.098	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	121.8380	2.097	4	121.8432	2.670	6	121.8432	2.670	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,2|O<2>,7|C<3>}	121.8535	0.400	2	121.8432	2.670	6	121.8432	2.670	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	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>}	125.2780	0.000	1	125.2780	0.000	1	125.2780	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<3>,2|C<3>,2|F<1>}	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|F<1>,8|C<3>}	121.8273	0.700	4	121.8273	0.490	4	121.8273	0.490	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,6|C<3>}	122.2295	0.667	2	122.2295	0.445	2	122.1055	0.201	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|F<1>,6|C<3>}	121.9815	0.310	2	121.9815	0.096	2	122.1055	0.201	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	124.2250	0.000	1	124.2250	0.000	1	124.2250	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2{1|B<3>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Br<1>,3|F<1>,6|C<3>}	121.7680	0.129	2	121.7532	1.136	6	121.7532	1.136	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2{1|B<3>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|F<1>,7|C<3>}	121.7458	1.374	4	121.7532	1.136	6	121.7532	1.136	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|N<3>,2|C<3>,2|F<1>}	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,1|H<1>,2|F<1>,4|C<3>}	121.9917	1.197	4	121.9917	1.432	4	121.9917	1.432	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:B[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|Br<1>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<3>,2|C<3>,2|F<1>}	C[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]2){2|F<1>,6|C<3>}	121.9405	0.357	2	121.9405	0.128	2	121.9405	0.128	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]F){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|F<1>,2|C<3>}	126.9135	1.242	4	126.9135	1.543	4	126.9135	1.543	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	S[4,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]S[4,5]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](S[4,5]B[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]S[4,5]C[5])(C[6a]C[6a]F)2{1|B<4>,2|C<3>,2|C<4>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|S<3>,2|C<3>,2|F<1>}	C[5](S[4,5]B[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]C){2|F<1>,3|C<4>,4|C<3>}	121.7350	0.122	2	121.7350	0.015	2	121.7350	0.015	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	As[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](As[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,1|H<1>,1|N<3>,2|C<3>}	C[5](As[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.2685	0.080	2	121.8565	0.268	4	121.8565	0.268	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	As[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](As[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,1|H<1>,1|O<2>,2|C<3>}	C[5](As[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.4445	0.346	2	121.8565	0.268	4	121.8565	0.268	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	As[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,1|H<1>,1|O<2>,2|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>}	118.7150	0.000	2	118.7150	0.000	2	121.4162	0.912	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	As[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,1|Br<1>,1|H<1>,2|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>}	121.2711	0.732	8	121.6413	0.303	24	121.4162	0.912	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	As[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,1|H<1>,1|N<3>,2|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>}	122.1098	0.163	4	121.6413	0.303	24	121.4162	0.912	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	As[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,1|H<1>,1|O<2>,2|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>}	121.5255	0.397	4	121.6413	0.303	24	121.4162	0.912	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	As[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,2|C<3>,2|H<1>}	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	121.8353	0.222	8	121.6413	0.303	24	121.4162	0.912	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5,6]O[5,6,6]O[6])(C[5]B[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|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>}	121.0035	1.661	2	121.0035	2.759	2	121.1365	0.978	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5,6]O[5,6]O[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|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>}	121.2695	0.323	2	121.2695	0.104	2	121.1365	0.978	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	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>}	121.1915	1.470	4	121.1436	0.788	12	121.3530	0.761	29	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	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>}	121.1196	0.557	8	121.1436	0.788	12	121.3530	0.761	29	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	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>}	121.3948	0.798	11	121.3948	0.636	11	121.3530	0.761	29	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.1285	0.429	2	121.1285	0.184	2	121.3530	0.761	29	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]N[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	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>}	122.1885	1.100	2	122.1885	1.209	2	121.3530	0.761	29	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]N[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[5](B[5]N[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.7680	1.577	2	121.7680	2.486	2	121.3530	0.761	29	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[4,5]C[4,5]2)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[4,5]C[4,5]2)(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.8360	1.990	2	120.8360	3.959	2	120.8360	3.959	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,5a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7385	0.136	2	120.7385	0.019	2	120.7385	0.019	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	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[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){2|H<1>,3|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){2|C<4>,3|H<1>,6|C<3>}	120.1410	0.000	1	120.1410	0.000	1	120.9135	0.266	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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){2|C<4>,3|H<1>,6|C<3>}	121.6390	0.000	1	121.6390	0.000	1	120.9135	0.266	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|P<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	120.9253	0.261	4	120.9253	0.068	4	120.9135	0.266	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.9780	1.355	4	120.9780	1.836	4	121.0374	1.308	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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|C<4>,2|H<1>,8|C<3>}	120.9450	0.157	2	121.0778	1.377	11	121.0374	1.308	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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<1>,2|H<1>,8|C<3>}	120.8568	1.819	4	121.0778	1.377	11	121.0374	1.308	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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){2|H<1>,9|C<3>}	120.9770	0.028	2	121.0778	1.377	11	121.0374	1.308	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|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>}	121.1780	1.491	2	121.0778	1.377	11	121.0374	1.308	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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){2|F<1>,2|H<1>,8|C<3>}	122.2290	0.000	1	121.0778	1.377	11	121.0374	1.308	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Se<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	121.3425	1.471	2	121.3425	2.165	2	121.0374	1.308	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Si<5>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6290	1.247	2	120.6290	1.556	2	121.0374	1.308	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.3290	0.303	2	121.3290	0.092	2	120.8083	1.533	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	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>}	121.2430	0.922	2	121.2868	0.226	5	120.8083	1.533	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.3160	0.153	3	121.2868	0.226	5	120.8083	1.533	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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|N<3>,2|C<3>,5|H<1>}	120.5165	1.767	2	120.6567	2.690	6	120.8083	1.533	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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>}	120.7267	1.850	4	120.6567	2.690	6	120.8083	1.533	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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]H){1|C<4>,2|H<1>,6|C<3>}	120.8235	0.224	4	120.8235	0.050	4	120.8083	1.533	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	119.9865	1.825	4	119.9865	3.329	4	120.8083	1.533	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.1590	2.092	2	121.1590	4.375	2	120.8083	1.533	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	122.6770	0.000	1	122.6770	0.000	1	120.8275	2.106	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(N[5]C[5]S)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7415	0.264	2	120.7415	0.070	2	120.8275	2.106	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	119.1500	0.000	1	119.1500	0.000	1	120.8275	2.106	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.8327	1.124	14	120.8327	1.264	14	120.8327	1.264	14	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	120.5295	0.764	2	120.5295	0.584	2	120.5295	0.584	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.1702	0.654	4	120.9839	0.334	10	120.9839	0.334	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.9025	0.011	2	120.9839	0.334	10	120.9839	0.334	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.8255	1.044	2	120.9839	0.334	10	120.9839	0.334	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.8510	0.625	2	120.9839	0.334	10	120.9839	0.334	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.2085	2.437	2	121.2085	5.941	2	120.8964	0.688	12	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	121.0670	0.634	2	120.8330	0.245	4	120.8964	0.688	12	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	120.5990	0.337	2	120.8330	0.245	4	120.8964	0.688	12	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	120.9055	0.149	2	120.9055	0.022	2	120.8964	0.688	12	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	121.0180	0.010	2	120.7993	0.206	4	120.8964	0.688	12	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5805	0.654	2	120.7993	0.206	4	120.8964	0.688	12	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,6|C<3>}	120.8260	0.800	2	120.8260	0.641	2	120.4060	1.047	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,5|C<3>}	119.9860	1.339	2	119.9860	1.794	2	120.4060	1.047	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|F<1>,1|N<3>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	113.3600	0.000	1	113.3600	0.000	1	120.3252	7.945	27	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	124.4710	0.000	1	124.4710	0.000	1	120.3252	7.945	27	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	123.1300	0.000	1	123.1300	0.000	1	120.3252	7.945	27	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	118.3920	0.000	1	120.5320	5.254	21	120.3252	7.945	27	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	120.5805	2.440	6	120.5320	5.254	21	120.3252	7.945	27	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	120.6023	2.255	6	120.5320	5.254	21	120.3252	7.945	27	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	120.7778	2.582	6	120.5320	5.254	21	120.3252	7.945	27	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	120.5085	3.399	2	120.5320	5.254	21	120.3252	7.945	27	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	115.3720	0.000	1	118.8823	10.390	3	120.3252	7.945	27	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	120.6375	1.515	2	118.8823	10.390	3	120.3252	7.945	27	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[6a]-3:	C[6a](C[5]C[5,6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.9025	1.221	2	121.9025	1.491	2	121.9025	1.491	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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|C<4>,1|O<2>,3|H<1>,6|C<3>}	121.3900	1.451	2	121.0263	0.811	6	121.0263	0.811	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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|C<4>,3|H<1>,7|C<3>}	120.8450	1.164	2	121.0263	0.811	6	121.0263	0.811	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8440	0.445	2	121.0263	0.811	6	121.0263	0.811	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	120.4370	0.805	2	120.4370	0.648	2	120.7800	2.225	34	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8770	0.133	2	120.8770	0.018	2	120.7800	2.225	34	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6475	0.650	4	120.6475	0.423	4	120.7800	2.225	34	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5375	4.866	2	120.5375	23.674	2	120.7800	2.225	34	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.9170	3.441	2	120.8347	4.347	4	120.7800	2.225	34	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7525	1.084	2	120.8347	4.347	4	120.7800	2.225	34	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.7335	0.141	2	120.7416	1.045	12	120.7800	2.225	34	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	120.8390	1.978	2	120.7416	1.045	12	120.7800	2.225	34	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,6|C<3>}	120.3923	0.683	6	120.7416	1.045	12	120.7800	2.225	34	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,3|H<1>,7|C<3>}	120.7000	1.584	2	120.7416	1.045	12	120.7800	2.225	34	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.9986	1.789	8	120.9986	3.202	8	120.7800	2.225	34	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	121.6200	0.000	1	121.6200	0.000	1	120.7635	1.953	15	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.7965	2.788	2	120.7965	7.774	2	120.7635	1.953	15	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.0595	0.077	2	120.6707	1.372	4	120.7635	1.953	15	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){3|H<1>,6|C<3>}	120.2820	1.872	2	120.6707	1.372	4	120.7635	1.953	15	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.2945	1.221	2	120.5793	0.891	4	120.7635	1.953	15	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.8640	0.926	2	120.5793	0.891	4	120.7635	1.953	15	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6845	2.801	2	120.6845	7.845	2	120.7635	1.953	15	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|Au<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Au){3|H<1>,6|C<3>}	120.9355	1.988	2	120.9355	3.951	2	120.7635	1.953	15	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	119.8190	0.000	1	119.8190	0.000	1	120.2690	0.405	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	120.7190	0.000	1	120.7190	0.000	1	120.2690	0.405	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	121.1210	0.901	2	121.1210	0.812	2	120.5556	1.425	8	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2){2|N<3>,4|C<3>,4|H<1>}	121.0425	1.736	2	121.0425	3.014	2	120.5556	1.425	8	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	120.0295	1.144	4	120.0295	1.309	4	120.5556	1.425	8	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|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>}	120.2790	0.000	1	120.2790	0.000	1	121.0409	1.421	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.7355	2.683	2	121.0923	1.663	16	121.0409	1.421	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	121.6105	1.716	2	121.0923	1.663	16	121.0409	1.421	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,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|O<2>,2|C<4>,3|H<1>,5|C<3>}	121.3075	0.360	2	121.0923	1.663	16	121.0409	1.421	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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|C<4>,4|C<3>,5|H<1>}	121.4160	0.785	2	121.0923	1.663	16	121.0409	1.421	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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|C<4>,4|C<3>,5|H<1>}	120.6671	1.250	8	121.0923	1.663	16	121.0409	1.421	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.0110	0.075	2	121.0110	0.006	2	121.0409	1.421	19	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	120.6620	0.247	2	120.6620	0.061	2	121.1025	0.378	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.0065	0.576	2	121.2365	0.562	6	121.1025	0.378	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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){2|C<4>,5|C<3>,5|H<1>}	121.3515	0.879	4	121.2365	0.562	6	121.1025	0.378	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(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]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	121.1410	0.168	2	121.1410	0.028	2	121.1025	0.378	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2{2|Cl<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.7245	1.542	2	120.7245	2.378	2	120.9020	1.248	8	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.0252	1.337	4	120.9612	1.254	6	120.9020	1.248	8	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.8330	0.928	2	120.9612	1.254	6	120.9020	1.248	8	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	116.7020	0.000	1	116.7020	0.000	1	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5930	1.144	2	120.5930	1.309	2	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.7722	0.615	4	120.7722	0.378	4	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.8840	1.113	2	120.8840	1.239	2	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.2190	2.527	2	120.2190	6.387	2	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	120.4725	0.627	2	120.4725	0.393	2	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	120.4750	0.214	2	120.4750	0.046	2	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	120.7373	0.418	4	120.7618	1.169	18	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.6403	0.807	4	120.7618	1.169	18	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.8203	1.387	10	120.7618	1.169	18	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	120.7845	1.320	2	121.0107	1.221	12	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	121.2413	0.735	4	121.0107	1.221	12	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	120.6175	1.662	2	121.0107	1.221	12	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	121.0897	1.490	4	121.0107	1.221	12	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	120.9757	0.899	6	120.8964	0.779	8	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	120.6585	1.122	2	120.8964	0.779	8	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	121.0065	1.385	4	121.0065	1.917	4	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.9410	1.496	2	120.7960	2.587	8	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.7477	1.779	6	120.7960	2.587	8	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	120.7843	0.516	4	120.7843	0.266	4	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2){3|H<1>,6|C<3>}	121.0950	1.885	2	121.0950	3.554	2	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	120.8295	0.030	2	120.8295	0.001	2	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8790	1.267	2	120.8790	1.606	2	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	122.4555	5.085	2	120.9667	1.868	36	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.7615	3.932	2	120.9667	1.868	36	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>,1|O<2>,2|H<1>,7|C<3>}	120.6655	0.687	2	120.9667	1.868	36	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.2202	0.759	6	120.9667	1.868	36	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8845	0.317	2	120.9667	1.868	36	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7059	0.344	10	120.9667	1.868	36	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.9072	1.117	12	120.9667	1.868	36	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.8395	2.840	2	120.6622	0.961	20	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.5530	0.042	2	120.6622	0.961	20	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,4|H<1>,6|C<3>}	121.1815	0.721	2	120.6622	0.961	20	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	120.4376	0.922	10	120.6622	0.961	20	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,3|H<1>,7|C<3>}	120.9300	0.451	4	120.6622	0.961	20	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|O<1>,3|H<1>,6|C<3>}	120.8575	1.340	6	120.6436	1.076	16	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|O<1>,3|H<1>,6|C<3>}	120.4080	1.516	2	120.6436	1.076	16	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|O<1>,3|H<1>,6|C<3>}	120.6510	1.349	2	120.6436	1.076	16	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|O<1>,3|H<1>,6|C<3>}	120.8345	1.336	2	120.6436	1.076	16	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|O<1>,3|H<1>,6|C<3>}	120.3413	0.380	4	120.6436	1.076	16	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.3915	1.409	2	120.5614	0.995	10	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.5410	2.329	2	120.5614	0.995	10	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.6270	0.342	2	120.5614	0.995	10	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.8035	1.100	2	120.5614	0.995	10	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	120.4440	0.041	2	120.5614	0.995	10	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[3,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[3,5]H)(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	120.8345	0.209	4	120.8345	0.044	4	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	121.1155	2.814	2	121.1155	7.916	2	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	120.4718	0.573	6	120.4718	0.328	6	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	121.1755	1.183	2	121.1755	1.399	2	120.7715	1.301	171	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,5|C<3>}	121.5900	0.000	1	121.5900	0.000	1	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,1|H<1>,2|C<4>,4|C<3>}	117.4750	0.000	1	117.4750	0.000	1	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	118.7160	0.000	1	118.7160	0.000	1	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	120.6430	0.000	1	120.6430	0.000	1	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.8365	0.359	2	117.8597	0.066	3	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,4|H<1>}	117.9060	0.000	1	117.8597	0.066	3	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,4|C<3>,4|H<1>}	118.8720	0.000	1	118.8720	0.000	1	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|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>}	121.0240	1.882	2	120.9171	1.146	10	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7020	0.505	2	120.9171	1.146	10	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.1980	1.461	2	120.9171	1.146	10	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8307	1.167	4	120.9171	1.146	10	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,4|C<3>,4|H<1>}	120.5010	0.204	2	120.5010	0.041	2	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|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>,5|H<1>}	120.5110	0.263	2	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.3035	0.890	2	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.6178	0.568	4	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	121.1775	2.330	2	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.7280	0.798	4	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	121.0685	1.087	2	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7720	0.637	4	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,3|H<1>,5|C<3>}	120.3335	0.629	2	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.0100	1.185	2	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>,6|C<3>}	121.0880	0.465	2	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,3|H<1>,5|C<3>}	120.7900	0.780	4	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>,5|H<1>}	120.5968	0.522	4	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	120.9470	2.445	2	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|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>}	120.8095	0.991	4	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	120.9490	0.041	2	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8780	1.848	2	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6660	2.157	2	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6170	0.853	4	120.8718	0.818	50	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	121.7095	0.023	2	121.0446	1.532	85	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	121.5410	2.400	2	121.0446	1.532	85	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	121.7657	1.467	4	121.0446	1.532	85	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	120.7811	0.997	10	121.0446	1.532	85	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.0230	1.830	2	121.0446	1.532	85	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|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>}	121.1635	0.179	2	121.0446	1.532	85	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|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>}	120.8585	1.401	2	121.0446	1.532	85	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	121.4537	1.521	8	121.0446	1.532	85	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.4255	1.742	4	121.0446	1.532	85	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,3|H<1>,4|C<3>}	120.8999	1.217	47	121.0446	1.532	85	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8495	1.249	2	121.0446	1.532	85	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I){1|N<3>,3|H<1>,5|C<3>}	121.2832	1.273	4	121.0598	1.576	6	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I){1|N<3>,3|H<1>,5|C<3>}	120.6130	1.556	2	121.0598	1.576	6	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|H<1>,5|C<3>}	121.2020	0.157	2	120.9578	1.236	4	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|C<3>,5|H<1>}	120.7135	1.856	2	120.9578	1.236	4	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.1545	0.904	2	120.1545	0.818	2	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|C<3>,5|H<1>}	120.1985	1.047	2	120.5574	1.560	16	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,4|C<3>,4|H<1>}	120.3785	1.008	6	120.5574	1.560	16	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|H<1>,5|C<3>}	120.5525	3.505	2	120.5574	1.560	16	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	120.8575	0.889	6	120.5574	1.560	16	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){3|H<1>,4|C<3>}	120.9945	0.197	2	120.9945	0.039	2	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,3|H<1>,5|C<3>}	120.4160	2.186	2	120.5290	1.622	4	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,3|H<1>,5|C<3>}	120.6420	0.187	2	120.5290	1.622	4	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]P)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]P){1|O<1>,3|H<1>,5|C<3>}	120.6185	0.169	2	120.6185	0.029	2	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C){2|O<1>,3|H<1>,4|C<3>}	120.9730	0.925	2	120.9730	0.855	2	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6675	0.738	4	120.6675	0.545	4	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|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>}	119.9665	0.845	2	119.9665	0.714	2	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){3|H<1>,4|C<3>}	122.3700	1.294	2	122.3700	1.674	2	120.8332	1.426	201	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]B[5]N)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]B[5]N){2|O<2>,3|H<1>,4|C<3>}	119.8995	3.931	2	119.8995	15.451	2	120.4157	1.152	25	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]N[5]Mg)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|Mg<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]N[5]Mg){1|B<4>,1|F<1>,2|H<1>,4|C<3>}	120.3362	0.653	17	120.3362	0.426	17	120.4157	1.152	25	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,3|H<1>,4|C<3>}	121.2935	0.882	2	120.8130	0.760	6	120.4157	1.152	25	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Se<1>,3|H<1>,4|C<3>}	120.5925	0.074	2	120.8130	0.760	6	120.4157	1.152	25	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,3|H<1>,4|C<3>}	120.5530	1.525	2	120.8130	0.760	6	120.4157	1.152	25	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6a]N[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]N[5,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	120.9295	2.695	2	120.9295	7.262	2	120.9295	7.262	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:B[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]B[5,6,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|B<4>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|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>}	120.9170	1.267	2	120.9170	1.606	2	120.7520	0.719	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:B[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|B<4>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|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>}	120.5870	0.666	2	120.5870	0.444	2	120.7520	0.719	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:B[5]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	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>}	120.7378	0.745	4	120.7378	0.554	4	121.0234	0.883	20	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:B[5]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]N)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]N){2|H<1>,6|C<3>}	120.9912	1.466	4	120.9912	2.150	4	121.0234	0.883	20	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:B[5]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Pt<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt){2|H<1>,6|C<3>}	121.0927	0.892	4	121.1294	0.745	12	121.0234	0.883	20	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:B[5]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Pt<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt){2|H<1>,6|C<3>}	121.1478	0.910	8	121.1294	0.745	12	121.0234	0.883	20	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C){1|C<4>,3|C<3>,4|H<1>}	120.5275	0.107	2	120.5275	0.011	2	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S){3|H<1>,5|C<3>}	121.1225	1.573	2	120.7657	1.925	4	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S){3|H<1>,5|C<3>}	120.4090	1.670	2	120.7657	1.925	4	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	120.4387	1.638	6	120.4387	2.683	6	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C){4|H<1>,5|C<3>}	120.2725	1.395	2	120.2725	1.946	2	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	120.5890	0.494	6	120.5890	0.244	6	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){5|C<3>,5|H<1>}	120.6600	0.542	2	120.6600	0.293	2	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]H){1|N<2>,3|H<1>,4|C<3>}	120.8740	0.692	2	120.8740	0.478	2	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	120.9390	2.898	2	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	120.6900	1.150	4	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	120.4338	1.179	4	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	120.6243	1.081	16	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<3>,1|C<4>,2|H<1>,4|C<3>}	120.5989	1.537	8	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	120.2968	1.326	8	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,3|H<1>,4|C<3>}	121.0683	1.626	4	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<5>,1|C<4>,2|H<1>,4|C<3>}	120.6335	2.251	4	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<5>,1|P<3>,2|H<1>,4|C<3>}	120.3285	1.414	18	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<6>,1|C<4>,2|H<1>,4|C<3>}	120.2977	1.436	16	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,1|C<4>,2|H<1>,4|C<3>}	120.4460	1.087	32	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,3|H<1>,4|C<3>}	120.2665	1.269	22	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	120.2109	1.397	16	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,2|H<1>,5|C<3>}	120.2395	0.305	2	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,3|H<1>,4|C<3>}	120.4839	1.773	10	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	120.4269	1.537	16	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Re<6>,3|H<1>,4|C<3>}	120.9105	2.114	12	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,1|C<4>,2|H<1>,4|C<3>}	120.6295	1.160	4	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,3|H<1>,4|C<3>}	120.6170	0.359	2	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	120.3370	1.096	4	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,2|H<1>,5|C<3>}	120.4293	1.557	6	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	120.5661	0.812	31	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	120.5685	0.711	4	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,5|C<3>}	120.8590	1.211	2	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	120.7400	0.342	2	120.4751	1.676	249	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){1|C<4>,3|H<1>,4|C<3>}	120.7562	0.507	16	120.7298	0.413	25	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){2|H<1>,6|C<3>}	120.9260	1.392	2	120.7298	0.413	25	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){4|C<3>,4|H<1>}	120.6134	0.811	7	120.7298	0.413	25	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	120.4947	0.934	8	120.5386	0.907	34	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){1|C<4>,3|H<1>,4|C<3>}	120.8565	0.833	4	120.5386	0.907	34	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	120.4860	0.848	8	120.5386	0.907	34	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){3|H<1>,5|C<3>}	120.6348	1.556	6	120.5386	0.907	34	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	120.4543	1.085	4	120.5386	0.907	34	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){4|C<3>,4|H<1>}	120.3533	0.373	4	120.5386	0.907	34	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Fe)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Fe){1|C<4>,1|P<3>,2|H<1>,4|C<3>}	120.5097	0.659	16	120.5097	0.434	16	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){3|H<1>,5|C<3>}	120.4860	1.974	2	120.6269	0.679	83	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Co<4>,3|H<1>,4|C<3>}	120.7134	0.996	8	120.6269	0.679	83	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Cu<4>,2|H<1>,5|C<3>}	120.5780	0.890	6	120.6269	0.679	83	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Cu<6>,3|H<1>,4|C<3>}	120.4245	0.184	4	120.6269	0.679	83	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Zn<4>,2|H<1>,5|C<3>}	120.6455	0.745	4	120.6269	0.679	83	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Zn<4>,3|H<1>,4|C<3>}	120.5531	0.776	20	120.6269	0.679	83	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,6|C<3>}	120.2537	1.460	4	120.6269	0.679	83	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){3|H<1>,5|C<3>}	120.7295	0.767	35	120.6269	0.679	83	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ni)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ni){1|C<4>,3|H<1>,4|C<3>}	120.6189	0.462	22	120.6189	0.213	22	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,2|H<1>,5|C<3>}	120.5455	2.388	2	120.7595	1.092	12	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,3|H<1>,4|C<3>}	120.8023	0.830	10	120.7595	1.092	12	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Re)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Re){1|C<4>,3|H<1>,4|C<3>}	120.2082	1.676	12	120.2082	2.810	12	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){1|C<4>,2|H<1>,5|C<3>}	120.5052	0.982	6	120.6690	0.747	65	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){1|C<4>,3|H<1>,4|C<3>}	120.7616	0.766	31	120.6690	0.747	65	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){2|C<4>,2|H<1>,4|C<3>}	120.6920	1.395	4	120.6690	0.747	65	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){3|H<1>,5|C<3>}	120.6115	0.437	4	120.6690	0.747	65	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){4|C<3>,4|H<1>}	120.5815	0.984	20	120.6690	0.747	65	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){2|H<1>,4|C<3>}	120.7025	0.681	2	120.7025	0.464	2	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	120.4710	1.990	2	120.6368	1.550	4	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){2|H<1>,2|N<3>,4|C<3>}	120.8025	0.763	2	120.6368	1.550	4	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	119.9320	0.744	2	119.9320	0.553	2	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){3|H<1>,5|C<3>}	120.8620	1.515	8	120.8620	2.294	8	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ru)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ru){1|C<4>,2|H<1>,4|C<3>}	124.4510	0.000	1	124.4510	0.000	1	120.5596	1.220	559	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:P[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(P[5]P[3,5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|P<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(P[5]P[3,5]C){1|C<4>,2|H<1>,5|C<3>}	120.9265	0.491	2	120.9265	0.242	2	120.7905	0.242	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:P[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]P[5]Mn)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Mn<6>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|P<3>,2|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>}	120.7225	0.552	4	120.7225	0.305	4	120.7905	0.242	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S[5]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]O[5]O)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]O[5]O){1|N<2>,3|H<1>,4|C<3>}	120.8665	1.555	2	120.8665	2.418	2	120.8665	2.418	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]B[6,6]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]B[6,6]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	120.8645	4.986	2	120.8645	24.858	2	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	120.2552	0.602	4	120.2552	0.362	4	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.3460	1.058	2	120.4423	2.332	10	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|Co<4>,2|H<1>,7|C<3>}	120.5210	1.986	2	120.4423	2.332	10	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|Pd<4>,2|H<1>,7|C<3>}	120.5250	1.550	4	120.4423	2.332	10	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.2945	2.935	2	120.4423	2.332	10	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.7805	2.651	4	119.7805	7.029	4	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	120.5036	1.506	8	120.5036	2.269	8	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	120.4905	0.927	2	120.5295	0.455	4	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5685	0.706	2	120.5295	0.455	4	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6035	2.362	2	120.6035	5.581	2	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|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>}	120.3635	1.539	2	120.3635	2.370	2	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.7752	2.541	4	120.7752	6.459	4	120.4369	2.959	40	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:P[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.1350	1.417	2	121.1350	2.008	2	120.9253	1.044	20	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:P[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.1055	1.962	2	121.1055	3.850	2	120.9253	1.044	20	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:P[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]P[5])(P[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]P[5])(P[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.9278	1.026	12	120.9278	1.053	12	120.9253	1.044	20	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:P[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2){1|Os<4>,2|H<1>,8|C<3>}	120.7228	0.831	4	120.7228	0.691	4	120.9253	1.044	20	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[5]-3:C[5]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(B[5]O[5]O)(C[5]C[5]C)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<3>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(B[5]O[5]O)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	120.5270	4.591	2	120.5270	21.073	2	120.5270	21.073	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,1|H<1>,3|C<3>}	116.8045	0.684	2	116.8045	0.468	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|I<1>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S){1|N<2>,2|C<3>,5|H<1>}	118.8320	0.000	1	118.8320	0.000	1	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|H<1>,1|O<2>,3|C<3>}	118.9260	0.000	1	118.9260	0.000	1	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<5>,1|C<3>,1|N<2>,1|N<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5]C){1|H<1>,1|O<2>,3|C<3>}	121.6460	0.000	1	121.6460	0.000	1	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	118.4530	1.522	2	118.9919	4.188	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	120.6335	1.511	2	118.9919	4.188	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	119.0950	2.649	4	118.9919	4.188	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	117.6830	1.615	2	118.9919	4.188	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	119.6510	0.000	1	119.4055	0.030	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	119.3105	0.094	2	119.4055	0.030	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	119.3500	0.000	1	119.4055	0.030	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.5000	0.000	1	119.5000	0.000	1	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,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>}	116.6750	0.000	1	116.6750	0.000	1	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]W)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|N<2>,1|N<3>,1|P<3>,1|W<6>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]W){1|H<1>,1|P<4>,3|C<3>}	117.6590	0.000	1	117.6590	0.000	1	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H){2|H<1>,2|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>}	121.0750	0.000	1	121.0750	0.000	1	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	119.1470	0.344	2	119.1470	0.118	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	119.9250	0.000	1	119.9250	0.000	1	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<2>,1|C<3>,1|N<2>,1|N<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C){2|H<1>,3|C<3>}	119.7900	3.063	2	119.7900	9.383	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.1970	1.216	2	120.1970	1.479	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Br<1>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6372	1.733	12	120.6372	3.004	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6125	0.531	2	120.6088	3.410	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	120.4690	3.380	2	120.6088	3.410	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	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>}	120.9168	1.292	4	120.6088	3.410	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.1290	3.619	2	120.6088	3.410	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.5275	0.894	2	120.3897	1.393	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2520	1.817	2	120.3897	1.393	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2190	0.160	2	120.1653	0.437	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|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>}	120.1115	1.129	2	120.1653	0.437	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S){3|H<1>,4|C<3>}	119.9405	1.961	2	120.3448	1.589	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<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>}	120.7490	0.519	2	120.3448	1.589	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.8925	0.490	2	120.8925	0.240	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.8495	2.546	2	120.2322	6.664	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.6150	3.595	2	120.2322	6.664	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S){4|C<3>,4|H<1>}	120.4780	1.137	4	120.4780	1.293	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]W)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|W<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]W){3|C<3>,3|H<1>}	120.6180	0.132	2	120.6180	0.017	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,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>}	120.3740	1.513	2	120.6044	4.059	181	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5940	3.055	2	120.6044	4.059	181	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6265	1.475	30	120.6044	4.059	181	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6550	2.181	12	120.6044	4.059	181	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5973	2.147	95	120.6044	4.059	181	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6295	2.101	12	120.6044	4.059	181	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.4010	2.032	2	120.6044	4.059	181	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5283	2.208	6	120.6044	4.059	181	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7730	1.206	2	120.6044	4.059	181	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6099	2.318	18	120.6044	4.059	181	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2392	1.331	4	120.4124	5.806	38	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2355	2.359	10	120.4124	5.806	38	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.0200	1.004	2	120.4124	5.806	38	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.1025	0.691	2	120.4124	5.806	38	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7422	3.457	4	120.4124	5.806	38	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2463	0.376	4	120.4124	5.806	38	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6802	3.293	12	120.4124	5.806	38	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	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>}	121.2495	2.067	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,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>}	120.5055	0.740	4	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	120.2955	3.014	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){2|C<3>,4|H<1>}	120.4428	1.592	4	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.3275	1.352	4	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7147	1.221	4	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6610	1.048	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	119.8770	1.858	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	122.1090	5.433	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7793	1.480	8	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6440	2.164	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.9757	1.557	6	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2695	1.513	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6875	2.111	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.8670	1.878	4	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2915	0.039	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	121.0155	3.036	6	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6195	2.021	4	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6630	1.761	4	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.4015	1.867	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5455	1.640	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2670	1.027	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2845	1.989	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7415	0.419	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6321	2.131	8	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.3525	1.517	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7919	0.963	8	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.9592	1.233	4	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.9630	1.902	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	121.0357	2.332	6	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5869	1.551	10	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.4755	1.296	4	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,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>}	120.2475	2.265	2	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|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>}	120.5957	1.584	43	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	119.8030	0.000	1	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2030	0.000	1	120.6548	2.541	167	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]O){3|C<3>,3|H<1>}	119.8780	1.003	4	119.8780	1.007	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]S[5]N)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]S[5]N){2|H<1>,3|C<3>}	119.9770	2.875	2	119.9770	8.266	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]S){3|C<3>,5|H<1>}	120.5400	2.875	2	120.5400	8.266	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]C){2|H<1>,4|C<3>}	119.9200	0.365	2	119.9200	0.133	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S){3|C<3>,5|H<1>}	120.7135	0.781	2	120.7135	0.611	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.3478	0.712	6	120.3478	0.507	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	121.1295	1.111	2	121.1295	1.234	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]O){2|C<3>,2|H<1>}	120.8480	1.418	2	120.8480	2.012	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O){2|C<3>,2|H<1>}	120.2510	0.141	2	120.2510	0.020	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C){2|H<1>,3|C<3>}	120.8912	2.139	4	120.8912	4.575	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	120.8200	0.960	2	121.0057	2.167	16	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|Co<4>,2|C<3>,3|H<1>}	120.5885	1.715	2	121.0057	2.167	16	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|Co<6>,2|C<3>,3|H<1>}	120.6730	1.650	4	121.0057	2.167	16	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|S<1>,2|C<3>,3|H<1>}	121.3227	1.640	8	121.0057	2.167	16	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.2126	2.176	18	120.6759	5.481	26	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){2|H<1>,3|C<3>}	120.2310	2.886	4	120.6759	5.481	26	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	123.2057	0.655	4	120.6759	5.481	26	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	119.9938	1.887	8	119.9938	3.562	8	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	119.7120	1.222	6	119.9116	1.742	16	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	119.7182	1.707	6	119.9116	1.742	16	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.0090	0.433	2	119.9116	1.742	16	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){2|H<1>,3|C<3>}	120.9935	1.039	2	119.9116	1.742	16	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.2295	1.705	2	120.1972	1.157	8	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.0410	0.561	2	120.1972	1.157	8	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.2592	1.267	4	120.1972	1.157	8	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.7210	2.478	2	120.4268	2.612	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){2|H<1>,3|C<3>}	120.5640	1.483	4	120.4268	2.612	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<7>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.2335	2.015	4	120.4268	2.612	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<7>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){2|H<1>,3|C<3>}	120.2450	1.829	2	120.4268	2.612	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	120.4495	2.606	2	120.4495	6.790	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Os)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Os<9>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Os)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.0755	4.009	2	120.0755	16.069	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	120.7087	2.375	6	120.7087	5.639	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.5110	0.967	2	120.6067	4.157	53	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	121.1020	2.807	2	120.6067	4.157	53	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<2>,2|C<3>,2|H<1>}	120.0735	2.741	2	120.6067	4.157	53	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.0373	2.237	3	120.6067	4.157	53	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<2>,2|C<3>,2|H<1>}	120.6555	4.242	2	120.6067	4.157	53	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.5059	2.153	28	120.6067	4.157	53	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){2|H<1>,3|C<3>}	120.9425	1.812	14	120.6067	4.157	53	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.6320	1.759	2	120.6320	3.095	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C){2|H<1>,3|C<3>}	120.7747	2.619	4	120.7462	5.410	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C){2|H<1>,3|C<3>}	120.6890	2.543	2	120.7462	5.410	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<5>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	121.0000	4.880	2	120.3966	3.809	26	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){2|H<1>,3|C<3>}	120.4850	1.038	2	120.3966	3.809	26	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<9>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.1960	3.346	2	120.3966	3.809	26	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<9>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.3215	1.595	10	120.3966	3.809	26	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<9>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){2|H<1>,3|C<3>}	120.3734	1.982	10	120.3966	3.809	26	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|S<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C){2|H<1>,4|C<3>}	121.0860	0.000	1	120.8977	1.994	3	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C){2|H<1>,4|C<3>}	120.8035	1.983	2	120.8977	1.994	3	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	120.6640	3.130	2	120.6175	2.837	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	120.5943	1.209	4	120.6175	2.837	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	119.7900	1.066	2	120.5104	1.157	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	121.1080	2.613	2	120.5104	1.157	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.4345	0.477	2	120.5104	1.157	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	120.6098	0.373	4	120.5104	1.157	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]N)(N[5]N[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]N)(N[5]N[5]O){2|C<3>,2|H<1>}	120.3290	2.555	2	120.3290	6.530	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	120.8375	1.073	6	120.8375	1.152	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	119.8320	0.000	1	119.8320	0.000	1	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	121.1215	0.023	2	121.1215	0.001	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	120.2900	1.465	2	120.3717	3.340	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	120.4125	2.201	4	120.3717	3.340	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	120.9040	0.618	2	120.8510	0.739	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|S<1>,2|C<3>,2|H<1>}	121.3145	1.985	2	120.8510	0.739	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	120.7237	0.691	4	120.8510	0.739	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|S<1>,2|C<3>,2|H<1>}	120.7200	0.775	4	120.8510	0.739	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O){1|S<1>,2|C<3>,2|H<1>}	120.6821	2.211	8	120.6253	4.320	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	120.3980	2.128	2	120.6253	4.320	10	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C){2|H<1>,3|C<3>}	121.0660	1.650	2	120.5763	2.883	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C){2|H<1>,3|C<3>}	120.0865	2.228	2	120.5763	2.883	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	120.8530	0.573	2	120.8530	0.328	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	120.6415	1.623	2	120.6415	2.634	2	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|S<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C){2|H<1>,4|C<3>}	120.0400	0.000	1	120.0400	0.000	1	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	119.9567	1.873	4	120.2774	3.975	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	121.2525	3.618	2	120.2774	3.975	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.1590	2.124	4	120.2774	3.975	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.1805	2.044	2	120.2774	3.975	12	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	117.8102	0.482	4	117.8102	0.232	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	119.5760	1.017	2	119.0860	0.804	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){2|H<1>,3|C<3>}	118.5960	0.646	2	119.0860	0.804	4	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	120.4742	2.128	6	120.4742	4.526	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	128.7570	0.000	1	127.7840	0.357	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	127.6813	0.531	3	127.7840	0.357	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|H<1>,3|C<3>}	127.3440	0.000	1	127.7840	0.357	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	127.5590	0.000	1	127.7840	0.357	6	120.5432	3.722	772	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:P[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	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>}	121.2410	0.651	2	121.2410	0.423	2	121.0504	0.198	18	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:P[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]O)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	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>}	120.8301	0.406	8	120.8301	0.165	8	121.0504	0.198	18	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:P[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]C[5]N)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]C[5]N){3|C<3>,3|H<1>}	121.0623	0.203	4	121.0623	0.041	4	121.0504	0.198	18	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:P[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]Si)(P[5]C[5]Sr)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Si<4>,1|Sr<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	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>}	121.3840	0.501	4	121.3840	0.251	4	121.0504	0.198	18	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.7620	0.000	1	116.2720	0.520	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,1|N<3>,3|C<3>}	116.7820	0.000	1	116.2720	0.520	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.0547	1.383	6	119.0547	1.912	6	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.3255	2.071	2	118.6523	2.296	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H){1|H<1>,1|N<3>,3|C<3>}	118.9790	1.474	2	118.6523	2.296	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,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>}	119.2683	1.201	3	119.2683	1.441	3	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	119.1900	0.000	1	119.1900	0.000	1	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	118.5155	0.412	2	119.1507	0.734	12	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	118.7290	0.319	6	119.1507	0.734	12	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	119.2670	0.000	1	119.1507	0.734	12	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	120.0390	0.000	1	119.1507	0.734	12	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	120.5485	0.900	2	119.1507	0.734	12	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	120.2775	0.439	4	119.6052	0.620	18	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	119.3360	0.000	1	119.6052	0.620	18	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	119.3565	0.469	2	119.6052	0.620	18	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	119.0192	0.893	6	119.6052	0.620	18	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	120.4450	0.000	1	119.6052	0.620	18	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	120.0920	0.136	2	119.6052	0.620	18	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	119.9790	0.000	1	119.6052	0.620	18	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	119.0120	0.000	1	119.6052	0.620	18	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,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>}	117.4480	0.000	1	118.6961	2.408	11	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	120.5658	0.581	4	118.6961	2.408	11	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	117.4060	0.330	2	118.6961	2.408	11	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,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>}	117.7835	0.503	4	118.6961	2.408	11	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	120.1410	1.881	2	119.4497	1.874	7	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	119.1732	1.262	5	119.4497	1.874	7	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	117.2100	0.000	1	117.6820	0.446	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	118.1540	0.000	1	117.6820	0.446	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Sb<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	118.5598	0.319	4	119.0736	0.373	8	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Sb<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,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>}	119.5875	0.254	4	119.0736	0.373	8	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<2>,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>}	118.9800	1.352	3	118.9800	1.829	3	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,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>}	120.2360	0.000	1	120.2360	0.000	1	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mo)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mo)(C[5]N[5]H){1|H<1>,1|P<4>,3|C<3>}	116.4810	0.000	1	116.4810	0.000	1	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,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>}	117.4635	0.179	2	117.4635	0.032	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Cu<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,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>}	118.4460	0.033	2	118.4460	0.001	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	124.4823	3.051	3	124.4823	9.311	3	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<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>}	120.7617	0.665	3	121.4115	3.662	15	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	120.6465	1.616	6	121.4115	3.662	15	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<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>}	122.5013	2.255	6	121.4115	3.662	15	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<6>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]S[5]H){2|H<1>,3|C<3>}	119.5535	0.394	2	119.5535	0.155	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<6>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(C[5]S[5]H){2|H<1>,3|C<3>}	118.2535	0.449	4	118.2535	0.201	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<6>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]S[5]H){2|H<1>,3|C<3>}	119.1020	2.093	2	119.1020	4.381	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	119.9960	2.476	2	120.3462	2.399	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C){4|C<3>,4|H<1>}	120.6965	0.759	2	120.3462	2.399	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cd)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cd<6>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cd)(C[5]S[5]H){2|H<1>,3|C<3>}	123.9170	0.181	2	123.9170	0.033	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<5>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]S[5]H){2|H<1>,3|C<3>}	120.8055	0.988	4	120.7205	0.669	6	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<6>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]S[5]H){2|H<1>,3|C<3>}	120.5505	0.575	2	120.7205	0.669	6	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]S[5]H){2|H<1>,3|C<3>}	121.1119	0.980	8	121.1119	0.961	8	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<6>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(C[5]S[5]H){2|H<1>,3|C<3>}	122.2170	0.503	4	122.2170	0.253	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]N[5]H){1|N<2>,2|H<1>,3|C<3>}	120.7366	1.412	8	120.7366	1.994	8	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<6>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]S[5]H){1|N<2>,2|C<3>,2|H<1>}	120.4117	1.466	3	120.3236	1.390	5	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<6>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]S[5]H){1|N<3>,2|C<3>,2|H<1>}	120.1915	1.097	2	120.3236	1.390	5	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<6>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]S[5]H){1|N<2>,2|C<3>,2|H<1>}	120.5015	1.345	4	120.9775	1.716	6	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<6>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]S[5]H){2|H<1>,3|C<3>}	121.9295	0.657	2	120.9775	1.716	6	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5053	1.631	4	120.6501	1.923	10	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7467	1.355	6	120.6501	1.923	10	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.9690	2.885	2	120.7168	1.651	90	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){3|C<3>,3|H<1>}	120.5950	1.487	4	120.7168	1.651	90	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,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>}	121.0233	1.116	6	120.7168	1.651	90	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.8299	1.556	40	120.7168	1.651	90	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.8250	1.189	12	120.7168	1.651	90	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.4216	0.698	26	120.7168	1.651	90	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]C){3|C<3>,3|H<1>}	120.2440	0.288	2	120.2440	0.083	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.3705	2.166	4	120.3036	1.101	20	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){3|C<3>,3|H<1>}	119.4525	0.243	4	120.3036	1.101	20	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5649	0.515	12	120.3036	1.101	20	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Er<8>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H){2|H<1>,3|C<3>}	120.7360	0.721	6	120.6959	1.076	8	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Er<8>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H){3|C<3>,3|H<1>}	120.5755	2.213	2	120.6959	1.076	8	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6080	2.099	2	120.7094	2.067	158	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6025	1.574	6	120.7094	2.067	158	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6385	0.796	6	120.7094	2.067	158	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.8187	1.300	18	120.7094	2.067	158	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6786	1.152	94	120.7094	2.067	158	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){3|C<3>,3|H<1>}	120.7075	2.582	4	120.7094	2.067	158	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	121.2253	2.285	6	120.7094	2.067	158	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.8695	2.813	10	120.7094	2.067	158	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){3|C<3>,3|H<1>}	120.5173	1.891	10	120.7094	2.067	158	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<7>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.4225	0.040	2	120.7094	2.067	158	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.3645	0.392	2	120.3217	3.734	12	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	119.8490	3.484	4	120.3217	3.734	12	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	120.9545	0.699	2	120.3217	3.734	12	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.4565	0.865	4	120.3217	3.734	12	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Li)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Li<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7333	0.847	6	120.7333	0.717	6	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mg)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mg<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5666	0.353	8	120.5666	0.125	8	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6500	1.848	2	120.9057	2.948	28	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.8361	1.433	14	120.9057	2.948	28	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,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>}	121.4185	2.817	6	120.9057	2.948	28	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6407	1.235	6	120.9057	2.948	28	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5120	2.578	2	120.6612	1.806	184	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5804	1.338	62	120.6612	1.806	184	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7942	1.309	18	120.6612	1.806	184	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6045	1.941	2	120.6612	1.806	184	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,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>}	120.9643	0.692	6	120.6612	1.806	184	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6628	1.246	56	120.6612	1.806	184	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5768	1.332	12	120.6612	1.806	184	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6123	1.324	18	120.6612	1.806	184	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5585	0.791	2	120.6612	1.806	184	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	121.1963	2.863	6	120.6612	1.806	184	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2490	1.757	8	120.4836	2.364	20	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.8725	1.208	4	120.4836	2.364	20	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5463	1.845	6	120.4836	2.364	20	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){2|H<1>,4|C<3>}	120.4560	0.914	2	120.4836	2.364	20	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	120.7810	2.153	4	120.6818	1.569	16	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	120.4514	0.896	10	120.6818	1.569	16	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	121.6355	0.120	2	120.6818	1.569	16	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7735	0.750	2	120.8193	4.078	13	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.8430	1.343	4	120.8193	4.078	13	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H){3|C<3>,3|H<1>}	120.8189	2.676	7	120.8193	4.078	13	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	120.8555	2.147	2	120.8555	4.612	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Re<6>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	120.1685	0.424	4	120.1685	0.180	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7202	0.955	4	120.5988	0.617	6	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.3560	0.417	2	120.5988	0.617	6	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	120.7113	0.880	4	120.7113	0.775	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sm)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Sm<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	121.3463	1.504	6	121.3463	2.261	6	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Yb<8>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H){2|H<1>,3|C<3>}	120.9685	0.789	6	120.9018	1.280	8	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Yb<8>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H){3|C<3>,3|H<1>}	120.7015	2.396	2	120.9018	1.280	8	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7125	2.213	2	120.7243	1.574	251	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6671	1.212	12	120.7243	1.574	251	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,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>}	121.4658	1.498	6	120.7243	1.574	251	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6307	1.069	59	120.7243	1.574	251	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7785	0.562	2	120.7243	1.574	251	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.8668	1.118	12	120.7243	1.574	251	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){3|C<3>,3|H<1>}	120.2855	0.740	4	120.7243	1.574	251	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,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>}	120.9560	1.059	24	120.7243	1.574	251	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6938	1.428	118	120.7243	1.574	251	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7048	0.878	12	120.7243	1.574	251	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<4>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	120.0695	1.641	4	120.0695	2.691	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	119.2640	6.603	2	119.2640	43.599	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	121.6105	0.904	4	121.6105	0.817	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cd)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cd<6>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cd)(C[5]S[5]H){2|H<1>,3|C<3>}	117.5680	0.710	2	117.5680	0.504	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,2|N<3>,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>}	120.9467	0.296	4	120.9467	0.087	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,2|N<3>,3|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>}	120.5198	2.784	12	120.5198	7.749	12	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	118.1185	0.261	2	118.1185	0.068	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,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>}	123.4965	0.179	2	124.0008	0.224	5	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|N<3>,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>}	124.3730	0.000	1	124.0008	0.224	5	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|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>}	124.3190	0.123	2	124.0008	0.224	5	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	124.1365	0.322	2	124.2873	0.120	3	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H){1|H<1>,3|C<3>}	124.5890	0.000	1	124.2873	0.120	3	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Os)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Os)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Os<9>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Os)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	124.0017	0.457	3	124.0017	0.209	3	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]S[5]H){1|C<4>,1|H<1>,2|C<3>}	126.1170	0.421	2	126.1170	0.178	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|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>}	121.4250	0.000	1	121.4250	0.000	1	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]O[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|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>}	124.5706	0.971	8	124.5706	0.944	8	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,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>}	128.9455	0.324	4	128.9455	0.105	4	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|C<4>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	124.5400	0.000	1	124.5400	0.000	1	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Ru<8>,1|H<1>,1|N<3>,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>}	127.2825	0.917	2	127.2825	0.841	2	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	123.8579	0.594	7	123.8579	0.353	7	120.7094	2.861	1074	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[5]-3:C[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(P[5]C[5]Sn)(C[5]C[5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Sn<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	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>}	120.9685	0.759	2	120.9685	0.576	2	120.9685	0.576	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[5]-3:C[5]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(S[5]C[5]Ru)(C[5]C[5]H)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<3>,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>}	116.8535	1.196	2	116.8535	1.430	2	116.8535	1.430	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2{1|Ga<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|N<3>,2|S<2>,3|H<1>,5|C<3>}	120.3625	0.462	4	120.3625	0.214	4	120.4312	0.623	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2{1|Ga<5>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|Cl<1>,1|S<2>,3|H<1>,5|C<3>}	120.5685	1.555	2	120.5685	2.418	2	120.4312	0.623	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|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>}	120.9435	2.054	2	120.9435	4.220	2	120.6864	4.213	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]Se[5]H)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|Se<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]Se[5]H){1|S<2>,2|H<1>,4|C<3>}	120.7805	4.502	2	120.7805	20.269	2	120.6864	4.213	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7695	3.359	2	120.7695	11.286	2	120.6864	4.213	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	120.6240	0.281	2	120.4693	0.598	4	120.6864	4.213	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	120.3145	1.272	2	120.4693	0.598	4	120.6864	4.213	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5,5]-3:C[6a]-3:	C[6a](C[5]N[5,5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](N[5,5]C[5,5]C[5])2(C[6a]C[6a]2)	C[6a](C[5]N[5,5]2)(C[6a]C[6a]H)2{2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5,5]C[5,5]C[5])2(C[6a]C[6a]2){6|C<3>,6|H<1>}	120.1025	0.193	2	120.1025	0.037	2	120.1025	0.037	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,4|C<3>,7|H<1>}	120.2665	1.913	4	120.2665	3.660	4	120.1531	1.774	8	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|Ge<3>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2){1|I<1>,1|N<3>,3|H<1>,6|C<3>}	120.0397	0.667	4	120.0397	0.445	4	120.1531	1.774	8	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5870	0.321	2	120.5870	0.103	2	120.5870	0.103	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.2405	1.609	2	120.2405	2.588	2	120.5442	3.972	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5a]C[5a,6]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.9550	3.941	2	120.9550	15.535	2	120.5442	3.972	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.9730	0.000	1	120.9730	0.000	1	120.5442	3.972	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5752	1.693	8	120.5752	2.866	8	120.5442	3.972	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.7916	2.299	8	120.7916	5.286	8	120.5442	3.972	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.1440	2.940	2	120.4110	5.792	4	120.5442	3.972	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6780	2.906	2	120.4110	5.792	4	120.5442	3.972	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	118.2060	0.000	1	118.2060	0.000	1	120.5442	3.972	26	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D)	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2{1|D<1>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D){1|N<3>,2|H<1>,3|C<3>}	120.2735	1.579	2	120.2735	2.493	2	120.3582	0.848	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H)	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	120.4430	0.148	2	120.4430	0.022	2	120.3582	0.848	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	120.5165	0.450	2	120.5165	0.203	2	120.4370	1.052	11	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|F<1>,2|H<1>,6|C<3>}	120.4795	0.846	6	120.4831	1.430	8	120.4370	1.052	11	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	120.4940	2.536	2	120.4831	1.430	8	120.4370	1.052	11	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	119.9090	0.000	1	119.9090	0.000	1	120.4370	1.052	11	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|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>}	116.9460	0.000	1	116.9460	0.000	1	120.2956	2.095	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]B[6])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5,6]C[5,6]B[6])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	121.2845	2.214	2	120.6800	3.472	4	120.2956	2.095	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]B[6])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]B[6])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	120.0755	2.013	2	120.6800	3.472	4	120.2956	2.095	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H){2|C<3>,3|H<1>,4|C<4>}	120.2690	1.157	4	120.2690	1.339	4	120.2956	2.095	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Fe)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|Fe<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Fe){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.1265	1.432	2	120.1265	2.050	2	120.2956	2.095	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.3680	0.071	2	120.3680	0.005	2	120.2956	2.095	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Ru)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|Ru<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Ru){1|O<1>,3|H<1>,4|C<3>}	120.5410	0.635	2	120.5410	0.403	2	120.2956	2.095	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,3|H<1>,5|C<3>}	120.1420	0.994	2	120.1420	0.988	2	120.2956	2.095	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	121.1170	1.978	2	121.1170	3.914	2	120.2956	2.095	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.3670	1.903	4	120.3670	3.623	4	120.2956	2.095	23	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Fe)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,2|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Fe){1|O<2>,2|H<1>,5|C<3>}	120.8180	0.000	1	120.8180	0.000	1	120.9185	2.262	17	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Co)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Co<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Co){1|O<2>,2|H<1>,5|C<3>}	123.1390	0.427	2	123.1390	0.182	2	120.9185	2.262	17	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|Cu<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Cu){3|H<1>,5|C<3>}	120.4065	1.761	4	120.4065	3.101	4	120.9185	2.262	17	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H){2|C<4>,3|C<3>,4|H<1>}	120.3160	1.836	2	120.3160	3.370	2	120.9185	2.262	17	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|Pt<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt){3|H<1>,5|C<3>}	120.2275	1.363	2	120.2275	1.857	2	120.9185	2.262	17	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Re)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|Re<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Re){3|H<1>,5|C<3>}	120.9755	1.620	2	120.9755	2.624	2	120.9185	2.262	17	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Ru)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|Ru<9>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Ru){3|H<1>,5|C<3>}	120.9635	1.443	4	120.9635	2.082	4	120.9185	2.262	17	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.0245	1.382	2	120.0245	1.911	2	120.0245	1.911	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.3660	3.322	2	120.3660	11.036	2	120.9507	6.450	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,3|H<1>,4|C<3>}	121.5355	2.635	2	121.5355	6.945	2	120.9507	6.450	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5]Pt)(C[5]N[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5,5]Pt)(C[5]N[5,5]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	119.9955	0.289	2	119.9955	0.084	2	121.3173	2.643	9	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.4305	0.753	2	120.4305	0.567	2	121.3173	2.643	9	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[5]B[5]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.6410	0.232	2	120.6410	0.054	2	121.3173	2.643	9	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	124.1000	0.000	1	123.9865	0.026	2	121.3173	2.643	9	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	123.8730	0.000	1	123.9865	0.026	2	121.3173	2.643	9	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|Pt<4>,1|N<3>,2|C<3>}	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	121.7490	0.000	1	121.7490	0.000	1	121.3173	2.643	9	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	118.5260	0.000	1	118.5260	0.000	1	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]S[5]S){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	121.0505	0.672	2	121.0505	0.452	2	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Ir<6>,2|C<3>,3|C<4>,3|H<1>}	120.4230	3.456	2	120.2947	3.315	8	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Pd<4>,2|C<3>,3|C<4>,3|H<1>}	120.1845	0.592	4	120.2947	3.315	8	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Rh<6>,2|C<3>,3|C<4>,3|H<1>}	120.3870	3.179	2	120.2947	3.315	8	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H){3|H<1>,6|C<3>}	120.5325	1.655	2	120.5325	2.740	2	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|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>}	120.7010	3.987	2	120.3357	3.383	6	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,6|C<3>}	120.4435	0.363	2	120.3357	3.383	6	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){5|C<3>,5|H<1>}	119.8625	0.390	2	120.3357	3.383	6	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Al)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Al<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Al){2|H<1>,6|C<3>}	120.7995	1.906	2	120.7995	3.632	2	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Fe){2|H<1>,6|C<3>}	120.8090	1.335	2	120.8090	1.782	2	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,6|C<3>}	120.7542	3.900	6	120.7542	15.208	6	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Ni){2|H<1>,6|C<3>}	120.8070	1.246	2	120.8070	1.552	2	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Zn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Zn){2|H<1>,6|C<3>}	120.5195	2.743	2	120.5195	7.523	2	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,2|H<1>,4|C<3>}	120.6797	1.768	4	120.6202	2.901	12	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,2|H<1>,4|C<3>}	120.5358	2.117	6	120.6202	2.901	12	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|N<3>,2|H<1>,4|C<3>}	120.7540	0.163	2	120.6202	2.901	12	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|N<2>,2|H<1>,4|C<3>}	120.4230	1.837	2	120.5982	4.564	10	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|N<2>,2|H<1>,4|C<3>}	120.6250	3.524	2	120.5982	4.564	10	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|N<2>,2|H<1>,4|C<3>}	120.6010	2.127	2	120.5982	4.564	10	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|N<2>,2|H<1>,4|C<3>}	120.6365	2.590	2	120.5982	4.564	10	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|N<2>,2|H<1>,4|C<3>}	120.7055	3.736	2	120.5982	4.564	10	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5275	2.740	2	120.5275	7.508	2	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd){1|C<4>,2|H<1>,5|C<3>}	120.5840	1.628	2	120.5840	2.650	2	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B){2|H<1>,5|C<3>}	120.4480	3.278	2	120.4480	10.746	2	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Co)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Co){2|H<1>,5|C<3>}	120.5163	1.326	7	120.5163	1.758	7	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<2>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Cu){1|C<4>,2|H<1>,4|C<3>}	120.2544	1.424	8	120.2544	2.028	8	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H){3|H<1>,4|C<3>}	120.1170	4.417	2	120.1170	19.506	2	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]I)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]I){2|H<1>,5|C<3>}	120.0935	1.189	2	120.0935	1.413	2	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Mn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Mn){1|B<4>,2|H<1>,4|C<3>}	120.2885	1.527	6	120.2885	2.333	6	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|H<1>,6|C<3>}	128.5465	0.198	4	128.5465	0.039	4	120.8332	6.087	90	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	O[4,5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]O[4,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](O[4,5]Ga[4,4,5,5]Ga[4])(C[5]O[4,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]O[4,5]C[5])(C[6a]C[6a]H)2{1|Ga<4>,1|Ga<5>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|O<3>,2|C<3>,2|H<1>}	C[5](O[4,5]Ga[4,4,5,5]Ga[4])(C[5]O[4,5]C[6a])(C[6a]C[6a]2){1|Ga<4>,2|H<1>,2|O<3>,3|I<1>,4|C<3>}	120.4865	1.715	8	120.4865	2.940	8	120.4865	2.940	8	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5,6]-3:C[5]-3:C[6a]-3:	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5,6]C[5,6]P[5,6])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|P<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5](P[5,6]C[5,6]P[5,6])(C[5]C[5,6]C)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	121.1850	1.365	2	121.1850	1.862	2	121.1850	1.862	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	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>}	121.3247	1.886	4	121.1870	2.212	6	121.1870	2.212	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	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>}	120.9115	0.400	2	121.1870	2.212	6	121.1870	2.212	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]Br)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|P<3>,2|C<3>}	C[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]Br)(C[6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	119.5940	0.000	1	119.5940	0.000	1	119.5940	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,4|H<1>,5|C<3>}	120.9785	0.390	2	121.3299	0.384	16	121.3299	0.384	16	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	121.3801	0.640	14	121.3299	0.384	16	121.3299	0.384	16	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]Hg)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Hg<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<3>,1|P<4>}	C[5](P[5]C[5,6a]Hg)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	117.1510	0.000	1	117.1510	0.000	1	117.8645	1.018	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<3>,1|P<4>}	C[5](P[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	118.5780	0.000	1	118.5780	0.000	1	117.8645	1.018	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	S[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](S[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	C[5](S[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H){2|H<1>,7|C<3>}	120.7957	2.110	4	120.7957	4.452	4	120.7957	4.452	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Se[5]-3:C[5]-3:C[6a]-3:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Se[5]C[5,3x6]O)(C[5]C[5,6,6]H)(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,2|C<3>,2|H<1>}	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>}	120.6645	0.618	4	120.6645	0.382	4	120.6645	0.382	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I){2|H<1>,3|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>}	123.3370	0.000	1	123.3370	0.000	1	123.3370	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|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>}	120.5095	0.559	4	120.5095	0.313	4	120.5095	0.313	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6,6a]C[6a])(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<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>}	114.7377	2.149	3	114.7377	4.618	3	114.7377	4.618	3	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Co<4>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C){1|H<1>,1|N<3>,4|C<3>}	118.1615	0.035	2	118.1615	0.001	2	117.2382	0.741	5	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Co<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	116.7625	0.054	2	116.7625	0.003	2	117.2382	0.741	5	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Fe)(N[5]C[5,6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Fe<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Fe)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	116.3430	0.000	1	116.3430	0.000	1	117.2382	0.741	5	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,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){2|H<1>,7|C<3>}	119.1410	0.000	1	119.1410	0.000	1	119.1410	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5,6]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|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>}	119.7480	0.000	1	119.7480	0.000	1	119.7480	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Cu)(C[5]S[5]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Cu)(C[5]S[5]H){1|H<1>,4|C<3>}	118.1685	0.730	4	118.1685	0.533	4	118.1685	0.533	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	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>}	119.2500	0.000	1	119.2500	0.000	1	119.1922	0.042	5	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|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>}	119.0585	0.325	2	119.0585	0.105	2	119.1922	0.042	5	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,4|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>}	119.2970	0.023	2	119.2970	0.001	2	119.1922	0.042	5	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]O)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(H){2|N<3>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]O)2{1|H<1>,3|C<3>,4|C<4>}	118.0135	0.108	2	118.0135	0.012	2	118.2047	0.115	3	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|Ir<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	118.5870	0.000	1	118.5870	0.000	1	118.2047	0.115	3	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S){3|C<3>,5|H<1>}	120.7460	0.000	1	120.7460	0.000	1	121.2152	0.270	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	121.3385	0.713	2	121.3385	0.509	2	121.2152	0.270	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	121.4380	0.000	1	121.4380	0.000	1	121.2152	0.270	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|N<3>,2|H<1>,4|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>}	122.8750	0.567	3	122.8750	0.322	3	122.8750	0.322	3	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	121.8110	0.000	1	121.5305	0.157	2	121.5305	0.157	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	121.2500	0.000	1	121.5305	0.157	2	121.5305	0.157	2	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S){3|C<3>,5|H<1>}	120.4350	0.000	1	120.4350	0.000	1	119.3343	1.746	3	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	118.7840	1.294	2	118.7840	1.674	2	119.3343	1.746	3	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,3|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>}	118.3670	0.254	3	118.3670	0.065	3	118.4127	2.423	21	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|N<3>,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|O<2>,2|C<3>,2|H<1>}	120.8650	0.000	1	120.8650	0.000	1	118.4127	2.423	21	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Sb<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|N<3>,1|O<2>,3|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>}	119.1901	0.632	11	119.0629	0.436	13	118.4127	2.423	21	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Sb<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|N<3>,1|O<2>,3|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>}	118.3635	0.285	2	119.0629	0.436	13	118.4127	2.423	21	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|F<1>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	116.9500	0.000	1	116.4045	0.595	2	118.4127	2.423	21	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|F<1>,2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|Cu<4>,1|C<4>,1|H<1>,3|C<3>}	115.8590	0.000	1	116.4045	0.595	2	118.4127	2.423	21	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	115.2970	0.000	1	115.0370	0.135	2	118.4127	2.423	21	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,2|C<3>,3|H<1>,3|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|Cu<4>,1|C<4>,1|H<1>,3|C<3>}	114.7770	0.000	1	115.0370	0.135	2	118.4127	2.423	21	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Ir)(C[5]N[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Ir)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|Ir<6>,2|C<4>,2|N<3>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	125.4880	0.000	1	125.4880	0.000	1	125.4880	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){2|C<3>,2|H<1>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.4620	0.000	1	119.4620	0.000	1	119.4620	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.9770	0.000	1	120.9770	0.000	1	120.9770	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.9510	0.475	4	119.9510	0.225	4	120.1582	0.224	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])(H){1|H<1>,2|C<3>,2|N<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.3565	0.655	2	120.1822	0.165	5	120.1582	0.224	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])(H){1|H<1>,3|C<3>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.0660	0.255	3	120.1822	0.165	5	120.1582	0.224	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,1|S<2>,2|C<4>,2|O<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C[5])(H){1|H<1>,2|C<3>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.8670	0.000	1	120.8670	0.000	1	120.1582	0.224	10	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	122.6010	0.506	2	122.6010	0.256	2	122.2377	0.524	3	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){2|H<1>,5|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>}	121.5110	0.000	1	121.5110	0.000	1	122.2377	0.524	3	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C){2|H<1>,3|C<3>}	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>}	118.6770	0.000	1	118.6770	0.000	1	118.6770	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	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>}	121.7677	1.381	6	121.7677	1.908	6	121.7677	1.908	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	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>}	122.2650	0.000	1	122.2650	0.000	1	122.2650	0.000	1	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(C[5]N[5]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){1|Cl<1>,1|F<1>,4|C<3>}	122.3720	0.000	1	122.3720	0.000	1	121.3110	0.500	5	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	120.9290	0.000	1	120.9290	0.000	1	121.3110	0.500	5	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	120.4670	0.000	1	121.0847	0.287	3	121.3110	0.500	5	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(C[5]N[5]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	121.3935	0.050	2	121.0847	0.287	3	121.3110	0.500	5	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|B<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){2|F<1>,3|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>}	121.6770	0.692	4	121.6770	0.480	4	121.6770	0.480	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,1|B<3>,1|B<4>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){2|F<1>,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|C<3>,2|F<1>}	122.3000	2.734	2	122.1438	1.557	6	122.1438	1.557	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,2|B<3>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){2|F<1>,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>}	121.9565	0.363	2	122.1438	1.557	6	122.1438	1.557	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,2|B<4>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){2|F<1>,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>}	122.1750	0.240	2	122.1438	1.557	6	122.1438	1.557	6	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){2|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|F<1>}	121.6205	2.507	2	121.6205	6.284	2	124.6970	45.491	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|C<3>,2|C<4>,2|F<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|F<1>,4|C<4>}	120.9790	0.000	1	120.9790	0.000	1	124.6970	45.491	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|Ir<6>,1|C<3>,1|F<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C){1|F<1>,2|C<3>,2|H<1>}	134.5680	0.000	1	134.5680	0.000	1	124.6970	45.491	4	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(C[5]N[5]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){1|Cl<1>,1|F<1>,4|C<3>}	120.5580	0.000	1	120.5580	0.000	1	121.9908	1.057	9	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){2|F<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,2|N<3>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|F<1>,4|C<3>}	121.8800	0.168	2	121.8800	0.028	2	121.9908	1.057	9	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|F<1>,4|C<3>}	122.0945	1.338	4	122.0945	1.790	4	121.9908	1.057	9	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|F<1>,4|C<3>}	122.6105	0.414	2	122.6105	0.171	2	121.9908	1.057	9	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	117.3500	0.000	1	118.4605	2.466	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<1>,1|H<1>,3|C<3>}	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>}	119.5710	0.000	1	118.4605	2.466	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	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>}	118.1500	0.000	1	118.1500	0.000	1	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	118.7460	0.000	1	118.7460	0.000	1	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	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>}	120.1800	0.000	1	120.1800	0.000	1	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	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>}	120.0935	0.269	2	120.0935	0.073	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Si<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){2|H<1>,3|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>}	120.2425	0.199	2	120.2425	0.039	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	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>}	119.1580	0.000	1	119.1580	0.000	1	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7283	0.958	16	120.7283	0.917	16	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.5990	0.928	2	120.5990	0.861	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6910	0.803	2	120.6910	0.645	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5,6]B[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.5948	0.901	4	120.5948	0.812	4	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.4245	0.718	2	120.4245	0.515	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6085	0.310	2	120.6085	0.096	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	121.1715	1.244	2	120.8854	0.577	8	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	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>}	120.6645	1.353	2	120.8854	0.577	8	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.8528	0.364	4	120.8854	0.577	8	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8145	0.297	4	120.8145	0.088	4	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	121.1645	1.443	2	121.1645	2.083	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.2968	1.666	8	121.2968	2.776	8	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7867	0.495	4	120.7380	0.869	6	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6405	1.893	2	120.7380	0.869	6	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8038	0.661	12	120.8038	0.437	12	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.2000	1.860	2	121.0910	1.121	6	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	121.0365	0.839	4	121.0910	1.121	6	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.4565	0.971	2	121.4565	0.943	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.7825	0.144	2	120.7825	0.021	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5a]N)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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>}	120.9700	0.180	2	120.9700	0.032	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.8765	1.737	2	120.8765	3.018	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7950	0.963	23	120.7950	0.928	23	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7350	0.533	2	120.7350	0.284	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5905	0.805	2	120.6442	0.241	4	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6980	0.253	2	120.6442	0.241	4	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.0045	2.726	2	121.0045	7.431	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]B[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	120.8680	1.648	2	120.8680	2.714	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	120.9743	0.447	3	121.0324	0.218	5	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	121.1195	0.670	2	121.0324	0.218	5	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|I<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	119.7310	0.000	1	119.7310	0.000	1	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	120.9050	0.000	1	120.9050	0.000	1	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	120.9715	0.589	2	120.9715	0.347	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	120.7915	0.614	2	120.6413	0.671	10	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	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>}	120.6900	2.017	2	120.6413	0.671	10	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.5750	0.551	6	120.6413	0.671	10	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.5575	0.257	2	120.5575	0.066	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.9084	0.631	10	120.9084	0.398	10	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	121.0675	0.161	2	121.0307	1.955	4	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	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>}	120.9940	2.415	2	121.0307	1.955	4	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	121.0875	1.296	2	120.9740	1.777	4	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.8605	1.897	2	120.9740	1.777	4	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.9375	0.808	2	120.9375	0.653	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	120.9070	0.820	2	120.5725	2.117	6	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.4052	1.786	4	120.5725	2.117	6	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.7680	0.119	2	119.7680	0.014	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]Si)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.7565	0.149	2	120.7565	0.022	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6010	0.443	2	120.6010	0.196	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5915	0.806	4	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7722	0.197	4	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5280	0.243	4	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7784	0.662	8	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.9129	0.893	24	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8625	1.974	4	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.9190	1.733	4	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.9290	1.421	4	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.9710	1.872	4	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6653	0.802	4	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.4800	0.725	2	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.9553	1.394	4	120.8267	1.023	70	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.8255	0.938	2	120.8255	0.880	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	119.9838	1.414	4	120.3685	1.371	20	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.4647	1.135	16	120.3685	1.371	20	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6613	0.660	4	120.6613	0.436	4	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.9075	0.258	2	120.9075	0.067	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7871	0.775	8	121.0858	1.163	92	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.6893	1.390	8	121.0858	1.163	92	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|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>}	120.6205	0.853	4	121.0858	1.163	92	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.3600	2.071	4	121.0858	1.163	92	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.0523	0.819	4	121.0858	1.163	92	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5185	1.252	8	121.0858	1.163	92	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.0515	0.773	30	121.0858	1.163	92	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.5486	1.121	26	121.0858	1.163	92	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Ge<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.4831	1.535	21	120.4831	2.355	21	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]P[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|P<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])2(C[6a]C[6a]2){2|Mn<6>,2|H<1>,6|C<3>}	120.7510	1.051	2	120.7510	1.104	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Se<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6660	2.490	4	120.6660	6.198	4	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.6060	0.000	1	120.7366	0.785	114	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7557	0.319	4	120.7366	0.785	114	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8175	1.601	4	120.7366	0.785	114	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7465	0.780	19	120.7366	0.785	114	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.4493	1.602	4	120.7366	0.785	114	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6363	1.258	12	120.7366	0.785	114	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8097	0.696	44	120.7366	0.785	114	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6252	0.973	18	120.7366	0.785	114	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6813	0.834	6	120.7366	0.785	114	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7430	1.604	2	120.7366	0.785	114	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	120.5260	2.384	2	120.5260	5.685	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8855	0.035	2	120.8855	0.001	2	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6072	0.534	8	120.6072	0.285	8	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	120.5070	0.336	3	120.5070	0.113	3	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	118.7590	0.000	1	118.7590	0.000	1	120.7768	1.057	525	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	117.0430	0.000	1	117.0430	0.000	1	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,3|C<3>}	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>}	121.0575	1.476	6	121.0575	2.177	6	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	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>}	120.8460	0.000	1	120.8460	0.000	1	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	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>}	120.8460	0.000	1	120.8460	0.000	1	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	120.6810	0.000	1	120.6810	0.000	1	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){2|H<1>,3|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>}	120.2015	0.843	4	120.2901	0.787	8	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){2|H<1>,3|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>}	120.3787	1.051	4	120.2901	0.787	8	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){2|H<1>,3|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>}	120.5620	1.240	2	120.5620	1.538	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]B[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.3380	0.102	2	120.3380	0.010	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[3]P[5])(C[6a]C[6a]2)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,1|P<5>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.7595	1.159	2	120.7595	1.343	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.3525	0.964	2	120.3525	0.929	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	120.9780	0.745	2	120.9252	1.090	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.8725	1.644	2	120.9252	1.090	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[3])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	120.8900	0.410	2	120.8900	0.168	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	121.4420	1.144	2	121.4420	1.309	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	120.8215	0.800	2	120.7365	0.570	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6515	1.020	2	120.7365	0.570	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	121.1810	2.056	2	121.1290	1.566	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	121.0770	0.677	2	121.1290	1.566	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7672	1.010	4	120.7672	1.020	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	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>}	120.6070	0.567	2	120.4762	0.458	5	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	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>}	120.5770	0.000	1	120.4762	0.458	5	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.2950	1.184	2	120.4762	0.458	5	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.0430	2.390	2	121.0430	5.712	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	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>}	121.3240	2.250	2	121.3240	5.063	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.2350	0.467	4	120.2350	0.218	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.1015	1.517	2	121.1015	2.301	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,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>}	121.2600	0.232	2	121.2600	0.054	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.3200	1.920	4	121.3200	3.687	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.5590	0.939	2	120.5590	0.882	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6045	0.199	2	120.6045	0.039	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.3860	1.102	2	121.3860	1.214	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6532	1.054	4	120.6532	1.111	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6230	0.034	2	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,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>}	120.6740	0.315	4	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7700	0.751	2	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.1995	1.115	2	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.2735	2.828	2	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.4348	1.523	4	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|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>}	120.5260	1.681	4	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.3645	0.887	4	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	120.8850	0.178	2	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|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>}	121.0510	0.517	4	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	121.4115	2.753	2	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,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>}	120.8695	1.528	2	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,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>}	121.3810	0.147	4	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6333	0.868	4	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8732	1.274	16	120.8671	1.241	58	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.3128	1.158	4	121.4187	2.410	57	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5800	1.394	2	121.4187	2.410	57	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7685	0.822	2	121.4187	2.410	57	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.2590	1.251	14	121.4187	2.410	57	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.2430	0.815	2	121.4187	2.410	57	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	121.6630	1.879	2	121.4187	2.410	57	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.2550	0.608	2	121.4187	2.410	57	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.6196	1.883	29	121.4187	2.410	57	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6795	0.347	2	120.8228	0.476	20	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.1215	1.101	2	120.8228	0.476	20	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<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>}	120.6205	0.856	4	120.8228	0.476	20	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8644	0.682	12	120.8228	0.476	20	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.1170	0.635	2	121.1170	0.403	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,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>}	120.5838	0.412	4	120.5838	0.170	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6900	1.436	4	120.7264	2.350	28	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	120.9860	1.353	2	120.7264	2.350	28	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6570	1.610	4	120.7264	2.350	28	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5420	0.245	4	120.7264	2.350	28	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8222	1.834	12	120.7264	2.350	28	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.4720	3.154	2	120.7264	2.350	28	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.1270	0.569	2	121.0394	0.322	8	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5685	1.042	2	121.0394	0.322	8	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.2310	0.282	4	121.0394	0.322	8	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	120.6170	0.000	1	120.8020	0.387	37	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|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>}	120.7307	0.542	12	120.8020	0.387	37	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	121.3270	0.551	4	120.8020	0.387	37	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	121.4145	0.521	4	120.8020	0.387	37	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7005	0.932	4	120.8020	0.387	37	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6035	0.117	2	120.8020	0.387	37	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8710	0.163	2	120.8020	0.387	37	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5633	0.318	4	120.8020	0.387	37	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.3295	0.832	4	120.8020	0.387	37	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.1360	2.964	2	121.1360	8.786	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	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>}	121.0225	0.125	2	120.7970	0.815	24	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.7088	0.861	6	120.7970	0.815	24	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.7930	0.431	2	120.7970	0.815	24	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.8695	1.042	2	120.7970	0.815	24	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6300	2.476	2	120.7970	0.815	24	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){4|C<3>,4|H<1>}	120.5460	1.249	2	120.7970	0.815	24	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	121.2075	0.784	4	120.7970	0.815	24	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5807	1.002	4	120.7970	0.815	24	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8270	0.376	4	120.8270	0.141	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.8688	0.541	4	120.8688	0.293	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6330	1.912	2	120.7400	2.311	6	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7935	1.619	4	120.7400	2.311	6	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6780	0.335	2	120.6780	0.112	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,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>}	120.8310	0.700	2	120.8310	0.490	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,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>}	121.3400	1.581	2	121.0272	0.984	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7145	0.247	2	121.0272	0.984	4	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	121.1008	1.256	6	121.1008	1.578	6	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|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>}	119.6820	3.256	2	119.6820	10.598	2	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|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>}	120.2800	0.000	1	120.0873	1.705	3	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|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>}	119.9910	1.831	2	120.0873	1.705	3	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Ir)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Ir){2|H<1>,3|C<4>,4|C<3>}	126.4220	0.000	1	126.4220	0.000	1	120.9108	1.449	351	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	119.9065	0.544	2	119.9065	0.296	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|H<1>,4|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>}	119.4550	0.000	1	119.4550	0.000	1	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	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>}	118.5085	0.447	4	118.5085	0.200	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,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>}	119.2910	0.000	1	119.2910	0.000	1	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	119.6690	0.000	1	119.6690	0.000	1	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{3|C<3>,3|H<1>}	118.7520	1.609	2	118.7520	2.590	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	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>}	119.9620	0.000	1	119.9620	0.000	1	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	120.9610	0.000	1	120.9610	0.000	1	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|Pd<4>,2|C<3>,2|H<1>}	123.0590	1.158	2	123.0590	1.342	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Br<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,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>}	120.9585	0.186	2	120.9585	0.035	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	120.4210	0.000	1	120.4210	0.000	1	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|C<3>,4|H<1>}	119.9988	0.857	4	119.9988	0.735	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){2|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>}	121.0620	0.000	1	121.0620	0.000	1	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.5258	0.780	4	120.4840	0.444	6	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){4|H<1>,5|C<3>}	120.4005	0.612	2	120.4840	0.444	6	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,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>}	121.0265	0.431	2	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,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>}	121.2100	2.168	2	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|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>}	121.3550	2.096	2	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|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>,5|C<3>}	121.1435	0.552	2	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|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>,4|H<1>}	120.9670	2.291	2	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|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>}	120.5810	0.000	1	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,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>}	121.0815	0.637	2	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,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>}	121.2935	1.962	2	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|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>}	121.0138	1.050	4	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|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>,2|H<1>,3|C<3>}	120.5040	1.086	2	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|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>}	120.9068	1.102	4	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|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>}	121.0051	1.235	41	121.0096	1.377	66	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.3365	0.063	2	121.4240	0.143	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,4|H<1>}	121.5115	0.629	2	121.4240	0.143	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|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>}	120.6165	0.552	2	120.5815	0.765	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.5465	1.409	2	120.5815	0.765	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.7520	1.311	2	120.7520	1.719	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.3645	0.838	2	120.4847	0.937	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<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>}	120.6050	1.433	2	120.4847	0.937	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,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>}	120.8350	0.133	2	120.8350	0.018	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6410	0.741	2	120.5493	0.486	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,4|H<1>}	120.4575	0.936	2	120.5493	0.486	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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>}	121.4020	0.748	2	121.4020	0.560	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,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>}	121.5695	0.254	2	120.9820	0.978	10	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|C<4>,2|H<1>,3|C<3>}	120.1235	0.682	2	120.9820	0.978	10	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|H<1>,4|C<3>}	121.5380	1.974	2	120.9820	0.978	10	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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>}	120.4900	0.157	2	120.9820	0.978	10	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{3|C<3>,3|H<1>}	121.1890	0.997	2	120.9820	0.978	10	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.2540	1.522	2	120.9188	1.002	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.5835	0.491	2	120.9188	1.002	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]P)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.1850	0.641	2	121.1850	0.410	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|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>}	120.5390	0.000	1	120.5390	0.000	1	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|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>}	120.6105	0.985	2	121.0354	1.404	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,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>}	121.3950	1.266	4	121.0354	1.404	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.9860	2.076	2	121.0354	1.404	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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>}	120.9130	1.213	4	121.0354	1.404	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	121.4635	0.975	2	120.9759	0.888	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.8780	1.133	2	120.9759	0.888	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.7330	0.075	2	120.9759	0.888	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.9130	1.246	2	120.9759	0.888	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.2800	0.808	2	120.9759	0.888	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<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>}	120.5880	2.055	2	120.9759	0.888	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	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>}	120.7165	2.477	2	120.8200	1.303	10	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.8459	0.891	8	120.8200	1.303	10	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	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>}	121.4715	1.133	2	121.1019	2.204	10	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.0910	1.475	2	121.1019	2.204	10	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.1720	1.953	4	121.1019	2.204	10	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.6030	2.035	2	121.1019	2.204	10	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]P[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.0405	0.050	2	121.0405	0.003	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|S<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	121.6390	0.513	2	121.0112	0.284	46	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	120.9681	0.526	42	121.0112	0.284	46	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{3|C<3>,3|H<1>}	121.2890	0.355	2	121.0112	0.284	46	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.9525	0.299	2	120.9525	0.089	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|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>}	121.4655	2.176	2	121.4655	4.734	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	121.8960	0.000	1	121.1236	0.411	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	120.4150	0.000	1	121.1236	0.411	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	121.0930	0.933	2	121.1236	0.411	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	121.1670	0.612	4	121.1236	0.411	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	121.0795	0.686	4	121.1236	0.411	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	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>}	120.9475	2.313	2	121.2125	3.432	6	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){3|C<3>,5|H<1>}	121.3450	1.966	4	121.2125	3.432	6	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|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>}	120.9285	0.892	2	120.8970	0.346	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,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>}	120.8655	0.490	2	120.8970	0.346	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	120.5230	0.351	2	120.5230	0.123	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,4|H<1>}	121.0615	0.993	2	121.2009	0.869	8	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	121.8695	0.532	2	121.2009	0.869	8	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.8100	0.634	2	121.2009	0.869	8	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,4|H<1>}	121.0625	1.770	2	121.2009	0.869	8	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]Ru)(C[5]C[5]S)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Ru<8>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|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>}	121.1690	2.506	2	121.1690	6.280	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.8982	1.738	12	120.8982	3.020	12	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Co<6>,2|C<3>,3|H<1>}	120.8160	1.024	2	120.7054	0.645	7	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|C<3>,4|H<1>}	120.8865	1.341	2	120.7054	0.645	7	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|Pd<4>,2|C<3>,2|H<1>}	120.5110	0.640	3	120.7054	0.645	7	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<2>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	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>}	120.6365	0.078	2	120.6365	0.006	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{2|C<3>,4|H<1>}	119.9730	0.219	2	120.4100	0.261	6	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|Ru<8>,2|H<1>,3|C<3>}	120.9255	0.450	2	120.4100	0.261	6	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{2|H<1>,4|C<3>}	120.3315	0.356	2	120.4100	0.261	6	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(C[5]C[5]I)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Se<2>,1|I<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	120.9855	2.071	2	120.7913	2.105	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(C[5]C[5]I)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Se<2>,1|I<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|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>}	120.5970	1.369	2	120.7913	2.105	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	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>}	119.7820	2.357	2	119.7820	5.558	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){2|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>}	119.4450	0.000	1	119.4450	0.000	1	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	121.9170	0.000	1	121.9170	0.000	1	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|S<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]S)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	120.0285	0.415	2	120.0285	0.172	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){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>}	122.3013	1.334	7	122.3013	1.781	7	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|C<3>,4|H<1>}	121.4393	0.679	4	121.4393	0.461	4	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	119.6695	0.571	2	119.6817	3.893	8	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|Pd<4>,2|C<3>,2|H<1>}	119.6858	2.321	6	119.6817	3.893	8	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[5])(H){1|H<1>,1|N<2>,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>}	121.9830	3.253	2	121.9830	10.580	2	120.8860	1.346	322	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H){1|C<3>,1|H<1>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.2560	0.000	1	120.2560	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.8970	1.290	2	120.3675	0.380	10	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.8083	0.470	3	120.3675	0.380	10	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,1|S<2>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.6590	0.000	1	120.3675	0.380	10	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6,6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.1993	0.176	4	120.3675	0.380	10	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]S)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|Pd<4>,1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]S){3|H<1>,5|C<3>}	120.1930	0.000	1	120.1930	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,3|C<3>,4|C<4>}	118.4670	0.000	1	118.4670	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Co<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	118.3420	0.042	2	118.3420	0.002	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	119.6620	0.000	1	119.6620	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	119.1340	0.000	1	119.1340	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	118.8723	0.481	3	118.8723	0.232	3	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	118.3425	0.685	2	118.8012	0.358	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	119.0040	0.643	2	118.8012	0.358	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	119.0570	0.520	2	118.8012	0.358	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cr<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	119.5370	0.000	1	119.5370	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	119.2480	0.000	1	119.2480	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{1|O<2>,2|C<3>,3|H<1>}	117.8310	0.000	1	117.8310	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ir<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	119.9560	0.000	1	119.9560	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]H){1|H<1>,1|O<2>,3|C<3>}	120.4260	0.000	1	120.4260	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	121.1575	1.811	2	121.1575	3.279	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ru<6>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	118.7182	0.724	4	118.7182	0.524	4	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	117.9900	0.433	2	118.0735	0.187	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.7790	0.146	2	118.0735	0.187	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	118.4515	0.503	2	118.0735	0.187	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	121.5405	0.325	2	121.5405	0.105	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cr<6>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	121.6931	0.443	8	121.6931	0.196	8	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	117.0520	0.000	1	118.3377	1.246	3	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|N<3>,1|O<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<3>,2|C<3>,4|C<4>}	119.0600	0.000	1	118.3377	1.246	3	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<3>,2|C<3>,3|C<4>}	118.9010	0.000	1	118.3377	1.246	3	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,1|H<1>,1|O<2>,4|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	120.5610	2.042	2	120.5610	4.170	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{1|P<4>,3|H<1>,4|C<3>}	113.2900	0.208	2	113.2900	0.043	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|P<4>,2|C<3>,4|C<4>}	118.1450	0.000	1	118.1450	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<2>,5|C<4>}	118.7690	0.000	1	118.7690	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|N<2>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	121.7845	0.086	2	121.7845	0.007	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Co<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<3>}	121.9460	0.000	1	121.9460	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Fe<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<3>}	121.6910	0.000	1	121.6910	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Mn<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<3>}	121.2410	0.000	1	121.2410	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	122.3800	0.000	1	122.0683	0.223	7	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	121.6310	0.378	2	122.0683	0.223	7	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	122.2090	0.461	4	122.0683	0.223	7	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])2(H){1|N<2>,2|H<1>,4|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	121.5700	0.397	6	121.5700	0.158	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.8140	0.000	1	120.8140	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.7215	1.012	4	119.6587	0.526	9	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.5155	0.559	4	119.6587	0.526	9	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,3|C<4>}	119.9800	0.000	1	119.6587	0.526	9	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	118.9980	0.000	1	119.1732	0.952	9	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<2>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	118.7368	0.682	4	119.1732	0.952	9	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	118.8600	0.000	1	119.1732	0.952	9	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<1>,2|C<3>,2|C<4>,2|H<1>}	119.9820	0.000	1	119.1732	0.952	9	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.8860	1.913	2	119.1732	0.952	9	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2{2|C<3>,2|C<4>,4|H<1>}	119.5439	0.715	16	119.5439	0.511	16	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ag)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ag<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ag)(N[5]C[5]H){2|C<3>,4|H<1>}	120.9220	0.719	8	120.9220	0.517	8	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]B)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]B)2{2|C<3>,4|H<1>}	120.3398	0.455	4	120.6109	1.335	10	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]B)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]B)2{2|C<3>,4|H<1>}	121.2080	0.345	2	120.6109	1.335	10	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]B)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]B)2{2|C<3>,4|H<1>}	120.5835	1.850	4	120.6109	1.335	10	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,6|H<1>}	119.6190	1.124	2	120.2541	3.213	12	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){3|H<1>,5|C<3>}	119.7502	1.488	4	120.2541	3.213	12	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,6|H<1>}	120.8560	0.974	4	120.2541	3.213	12	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){3|C<3>,3|H<1>}	120.6930	4.575	2	120.2541	3.213	12	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N){2|C<3>,4|H<1>}	119.9395	0.105	2	120.1320	1.817	4	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N){2|C<3>,4|H<1>}	120.3245	2.300	2	120.1320	1.817	4	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	120.1155	0.612	2	120.0358	0.673	38	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	120.6850	0.345	2	120.0358	0.673	38	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{3|C<3>,5|H<1>}	119.6930	1.711	2	120.0358	0.673	38	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	120.3755	0.141	2	120.0358	0.673	38	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Pd<4>,2|H<1>,3|C<3>}	120.1170	0.995	6	120.0358	0.673	38	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Rh<6>,2|C<3>,3|H<1>}	120.1688	0.655	4	120.0358	0.673	38	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	119.9123	0.843	20	120.0358	0.673	38	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cd)(N[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cd<6>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cd)(N[5]N[5]H){2|H<1>,3|C<3>}	121.1725	0.110	2	121.1725	0.012	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Co<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){2|C<3>,6|H<1>}	121.2192	1.181	6	120.3927	0.610	26	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){2|C<3>,4|H<1>}	120.2076	0.341	14	120.3927	0.610	26	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Co<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){3|C<3>,3|H<1>}	119.9982	0.502	6	120.3927	0.610	26	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	120.2488	1.119	4	120.2827	1.570	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,4|H<1>}	120.3505	2.019	2	120.2827	1.570	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H){2|C<3>,4|H<1>}	120.3579	0.431	18	120.3393	0.395	20	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H){3|C<3>,3|H<1>}	120.1715	2.068	2	120.3393	0.395	20	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<4>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]O){2|C<3>,2|H<1>,4|C<4>}	119.9865	5.136	2	119.9865	26.376	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Fe<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	120.3586	1.723	20	120.3586	2.969	20	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Fe<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H){1|P<3>,2|C<3>,3|H<1>}	120.1149	1.021	12	120.1962	1.445	32	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Fe<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H){1|P<3>,2|C<3>,3|H<1>}	120.2548	1.474	6	120.1962	1.445	32	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Fe<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]H){3|C<3>,3|H<1>}	120.2407	1.310	14	120.1962	1.445	32	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|C<3>,6|H<1>}	121.2050	0.808	4	120.5342	0.403	61	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|C<3>,6|H<1>}	120.3731	0.456	14	120.5342	0.403	61	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|H<1>,4|C<3>}	119.5527	0.931	3	120.5342	0.403	61	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|H<1>,4|C<3>}	120.8330	0.440	4	120.5342	0.403	61	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|H<1>,4|C<3>}	120.0950	0.580	2	120.5342	0.403	61	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|C<3>,4|H<1>}	120.6684	0.639	24	120.5342	0.403	61	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|H<1>,4|C<3>}	120.3095	0.373	4	120.5342	0.403	61	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{3|C<3>,3|H<1>}	120.6615	0.653	2	120.5342	0.403	61	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|H<1>,4|C<3>}	120.4410	0.234	4	120.5342	0.403	61	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ir<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H){2|H<1>,4|C<3>}	119.9860	2.065	2	119.9860	4.263	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(N[5]C[5]H){3|C<3>,3|H<1>}	120.0225	0.575	6	120.0225	0.331	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ni<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(N[5]C[5]H){3|C<3>,3|H<1>}	120.3063	1.274	18	120.3063	1.624	18	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	121.2150	0.048	4	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	121.0445	0.402	4	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,3|C<4>}	116.1180	0.000	1	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	121.4260	0.000	1	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.2465	0.559	2	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	117.5700	0.000	1	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.8120	0.000	1	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.2085	0.165	2	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.9305	0.731	4	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.4615	1.673	6	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.7430	0.348	4	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	121.3055	0.759	2	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.7892	1.165	12	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	121.3425	0.841	2	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.6605	0.610	16	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|H<1>,3|C<3>,3|C<4>}	120.3225	0.088	2	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	122.0130	0.000	1	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<1>}	120.0780	0.000	1	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.2400	0.000	1	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<1>,2|C<3>,2|C<4>,2|H<1>}	121.4120	0.000	1	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.5980	0.000	1	120.5748	1.188	69	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Os<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H){2|H<1>,4|C<3>}	120.6340	0.991	2	120.6340	0.983	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]H){2|C<3>,6|H<1>}	120.3260	0.772	6	120.3374	0.428	8	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]H){2|C<3>,4|H<1>}	120.3715	0.142	2	120.3374	0.428	8	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C){1|C<4>,2|C<3>,2|H<1>}	119.9800	1.153	2	119.9800	1.328	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){2|C<3>,6|H<1>}	119.7565	0.218	2	119.9861	0.469	8	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){3|C<3>,3|H<1>}	120.0627	0.787	6	119.9861	0.469	8	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]N[5]H){2|H<1>,3|C<3>}	120.6365	0.211	2	120.6733	0.670	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]N[5]H){2|H<1>,3|C<3>}	120.7475	1.535	2	120.6733	0.670	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<6>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]N[5]H){2|H<1>,3|C<3>}	120.6360	0.966	2	120.6733	0.670	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Re<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C){1|Re<6>,2|C<3>,2|H<1>}	119.5055	0.125	2	119.7960	0.413	8	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Re<6>,1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C){2|C<3>,2|H<1>}	120.2895	0.706	2	119.7960	0.413	8	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Re<6>,1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C){2|C<3>,2|H<1>}	119.6945	0.748	4	119.7960	0.413	8	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5]N){2|H<1>,3|C<3>}	119.9613	1.560	8	119.9613	2.432	8	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|H<1>,4|C<3>}	120.8297	0.536	3	120.8297	0.287	3	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.6425	0.136	2	119.6960	0.304	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.7228	0.706	4	119.6960	0.304	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.8870	0.000	1	120.4926	0.383	10	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	121.2090	0.000	1	120.4926	0.383	10	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<2>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.9615	0.299	4	120.4926	0.383	10	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|O<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	119.9960	0.380	4	120.4926	0.383	10	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|H<1>,4|C<3>}	120.8227	2.850	4	120.8227	8.124	4	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	121.1858	0.503	5	121.1858	0.253	5	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Co<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,2|H<1>,4|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){2|C<3>,6|H<1>}	119.9357	0.757	6	119.9357	0.573	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,2|H<1>,4|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{2|C<3>,6|H<1>}	119.8777	0.613	6	119.8777	0.375	6	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,1|H<1>,1|O<2>,4|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<1>}	119.2550	0.000	1	120.3075	0.828	4	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,1|H<1>,1|O<2>,4|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.7930	0.000	1	120.3075	0.828	4	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,2|H<1>,4|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.5910	0.990	2	120.3075	0.828	4	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,2|H<1>,4|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){2|C<3>,6|H<1>}	120.2365	0.199	2	120.2365	0.039	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C){2|C<3>,3|H<1>}	126.2465	0.209	2	126.2465	0.044	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H){3|H<1>,4|C<3>}	123.7290	0.000	2	123.7290	0.000	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Os<9>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H){2|C<3>,5|H<1>}	124.0040	0.000	1	123.4170	0.689	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Os<7>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(N[5]C[5]H){2|C<3>,3|H<1>}	122.8300	0.000	1	123.4170	0.689	2	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	118.3820	0.000	1	118.3820	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]C)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]C){2|C<3>,3|H<1>}	125.4720	0.000	1	125.4720	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(N[5]C[5]H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(N[5]C[5]H){2|C<3>,5|H<1>}	124.8003	0.309	3	124.8003	0.096	3	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|Br<1>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	121.4740	0.000	1	121.4740	0.000	1	120.3272	1.842	551	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	118.6790	0.000	1	118.6790	0.000	1	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Co){1|H<1>,1|O<2>,6|C<3>}	119.8290	0.000	1	119.8290	0.000	1	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|H<1>,1|O<2>,6|C<3>}	123.2460	0.000	1	123.2460	0.000	1	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ir<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir){1|H<1>,1|O<2>,6|C<3>}	120.6570	0.000	1	120.6570	0.000	1	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Mo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Mo){1|H<1>,1|O<2>,5|C<3>}	122.6040	0.000	1	122.6040	0.000	1	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<2>,4|C<3>,5|H<1>}	118.9980	0.000	1	118.9765	0.001	2	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<3>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<3>,4|C<3>,5|H<1>}	118.9550	0.000	1	118.9765	0.001	2	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	120.4940	0.281	2	120.4940	0.079	2	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<1>,2|H<1>,5|C<3>}	120.8255	0.784	4	120.8255	0.615	4	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){4|H<1>,6|C<3>}	120.9150	1.280	4	120.9150	1.639	4	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,2|H<1>,4|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){4|H<1>,6|C<3>}	119.2493	0.760	4	119.2493	0.577	4	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6]Ir)(C[6a]C[6a]2)(N[5]C[5,6]H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6]Ir)(C[6a]C[6a]2)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	125.5085	0.094	4	125.5085	0.009	4	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir){1|H<1>,2|C<4>,4|C<3>}	126.3970	0.147	2	126.3930	0.165	4	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir){3|H<1>,4|C<3>}	126.3890	0.689	2	126.3930	0.165	4	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]Ir)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]Ir){1|H<1>,5|C<3>}	125.1062	0.737	6	125.1062	0.543	6	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ir)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ir){2|H<1>,4|C<3>}	125.7850	0.038	2	125.7850	0.001	2	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Ni)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Ni){2|C<3>,3|C<4>,5|H<1>}	133.2095	0.886	2	133.2095	0.785	2	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni){1|C<4>,4|C<3>,4|H<1>}	130.1250	0.000	1	131.8497	1.670	6	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni){1|C<4>,4|C<3>,4|H<1>}	130.7030	0.000	1	131.8497	1.670	6	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ni){1|C<4>,4|C<3>,4|H<1>}	132.5675	0.817	4	131.8497	1.670	6	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,4|C<3>,4|H<1>}	128.6060	0.000	1	128.2698	2.976	11	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){4|H<1>,5|C<3>}	128.4370	0.000	1	128.2698	2.976	11	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,4|C<3>,4|H<1>}	128.7268	0.608	6	128.2698	2.976	11	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,4|C<3>,4|H<1>}	130.6910	0.000	1	128.2698	2.976	11	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){3|H<1>,4|C<3>}	125.4365	2.143	2	128.2698	2.976	11	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt){2|C<4>,3|C<3>,5|H<1>}	131.3593	1.891	3	131.4290	2.419	7	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt){2|C<4>,4|C<3>,4|H<1>}	131.4812	1.564	4	131.4290	2.419	7	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt){4|H<1>,5|C<3>}	131.3590	0.000	1	128.3390	6.994	3	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt){3|H<1>,4|C<3>}	126.8290	0.554	2	128.3390	6.994	3	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6]Rh)(C[6a]C[6a]2)(N[5]C[5,6]H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6]Rh)(C[6a]C[6a]2)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	123.3590	1.718	4	123.3590	2.952	4	125.7810	20.278	70	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C[5])(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	117.9350	0.000	1	117.9350	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2){1|Cu<3>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	120.3595	1.356	2	120.2556	0.550	8	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2){1|Cu<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	120.2210	0.630	6	120.2556	0.550	8	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|Cd<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	118.1920	0.000	1	118.1920	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	116.6500	0.000	1	116.6500	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2){1|Zn<4>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	115.1480	0.273	2	115.1480	0.074	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	118.8290	0.000	1	118.8290	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	122.6110	0.000	1	122.6110	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	118.8183	0.363	3	118.8183	0.132	3	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	117.6090	0.000	1	117.6090	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Mn<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	120.2245	0.118	2	120.2245	0.014	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Ni<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	121.8195	0.199	2	122.0198	0.277	4	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Ni<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	122.2200	0.795	2	122.0198	0.277	4	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<4>,4|C<3>}	118.6180	0.000	1	118.6180	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Co<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.0588	0.313	4	119.0588	0.098	4	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ni<4>,2|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	117.4880	0.000	1	117.4880	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	118.6775	0.540	2	118.6775	0.291	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.3910	0.000	1	119.3910	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	118.3246	0.471	5	118.3246	0.222	5	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Be)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Be<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Be)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	121.5490	0.000	1	121.5490	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	118.1960	0.000	1	118.1960	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.4285	0.647	2	120.4285	0.419	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Re)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Re<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Re)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	121.5415	0.233	2	121.5415	0.054	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.2810	0.132	2	119.2810	0.017	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.6580	0.000	1	119.6580	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.0175	0.056	2	120.0175	0.003	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.0910	0.000	1	119.0910	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ni<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.5610	0.000	1	119.5610	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.3690	0.000	1	120.3690	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	122.7090	0.000	1	122.7090	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.5235	1.259	2	119.5235	1.586	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	118.7600	0.000	1	118.7600	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Fe<5>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.3580	0.000	1	119.3580	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	118.5545	0.544	2	118.3733	0.246	3	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	118.0110	0.000	1	118.3733	0.246	3	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H){2|H<1>,2|N<2>,3|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	122.0090	0.000	1	122.0090	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	123.0377	1.138	3	123.0377	1.296	3	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cd<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H){1|C<3>,1|N<2>,2|H<1>,3|N<3>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.8630	0.000	1	119.8630	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(H){1|C<3>,1|N<2>,2|H<1>,3|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.8090	0.000	1	119.8090	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,2|P<2>,6|C<3>}	121.3940	0.000	1	121.3940	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.6360	0.000	1	120.6360	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.0670	0.000	1	121.0670	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.6180	0.000	1	119.6180	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,2|P<2>,6|C<3>}	118.9880	0.000	1	119.9503	1.339	6	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,2|P<2>,6|C<3>}	120.1428	1.181	5	119.9503	1.339	6	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6]C[6a])2(C[6a]C[6a]2){2|Ge<2>,2|H<1>,6|C<3>}	121.0555	0.795	4	121.0555	0.632	4	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]B)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]B)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.2180	1.827	4	120.2180	3.338	4	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.3417	0.805	4	120.3417	0.648	4	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.1770	0.000	1	120.1770	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2){2|H<1>,6|C<3>}	116.7890	0.000	1	119.2377	6.482	3	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.4620	1.993	2	119.2377	6.482	3	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	119.6375	0.272	4	119.5883	0.939	6	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	119.4900	2.109	2	119.5883	0.939	6	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cd<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.8520	0.000	1	119.8520	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.4130	0.000	1	121.4130	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.4870	0.000	1	120.5001	0.554	20	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.2005	0.069	2	120.5001	0.554	20	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.1245	0.784	4	120.5001	0.554	20	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.1867	0.644	10	120.5001	0.554	20	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.4865	0.568	2	120.5001	0.554	20	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.7760	0.000	1	120.5001	0.554	20	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.5620	0.000	1	120.5620	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.1955	1.602	4	120.1955	2.568	4	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.4620	0.000	1	120.4620	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.9820	1.752	2	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){6|C<3>,6|H<1>}	120.1767	1.015	4	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){6|C<3>,6|H<1>}	121.5398	2.720	6	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.4175	2.710	2	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.9285	0.812	2	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Al<4>,2|H<1>,7|C<3>}	120.7945	0.078	2	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	121.0252	0.811	4	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Fe<5>,2|H<1>,7|C<3>}	120.6645	0.274	2	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	120.5907	0.904	4	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Ni<4>,2|H<1>,7|C<3>}	120.9470	1.994	2	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Pd<4>,2|H<1>,7|C<3>}	120.6797	0.935	8	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Pd<4>,3|H<1>,6|C<3>}	120.2922	1.204	8	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Zn<3>,2|H<1>,7|C<3>}	120.7155	2.835	2	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.1800	2.192	6	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0040	0.303	2	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){1|Ni<4>,3|H<1>,6|C<3>}	120.7535	1.814	2	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.4945	0.059	2	120.6445	2.060	60	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.9570	0.000	1	123.9570	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.0830	0.000	1	121.0830	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.6055	1.358	2	121.6055	1.845	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|C<3>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	124.3770	0.000	1	124.3770	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	131.1192	1.297	4	128.2901	3.374	18	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Ir<6>,1|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	127.4878	0.913	4	128.2901	3.374	18	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<2>,1|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	126.4090	0.000	1	128.2901	3.374	18	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|C<4>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	125.9050	0.000	1	128.2901	3.374	18	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|F<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	128.6700	0.216	2	128.2901	3.374	18	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	126.9550	0.890	2	128.2901	3.374	18	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	127.8072	0.349	4	128.2901	3.374	18	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	130.8053	1.187	8	128.5558	6.402	16	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	126.3993	0.804	6	128.5558	6.402	16	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<3>,1|C<4>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	125.0900	0.000	1	128.5558	6.402	16	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	126.9650	0.000	1	128.5558	6.402	16	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	125.1350	0.443	2	125.1350	0.196	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Ir<6>,1|C<2>,1|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	124.8710	0.021	2	124.8710	0.000	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Os<9>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	126.3730	0.000	1	126.3730	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,6|C<3>}	124.5655	0.667	2	128.3645	9.568	11	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,6|C<3>}	130.9785	0.337	6	128.3645	9.568	11	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,6|C<3>}	125.6690	1.227	3	128.3645	9.568	11	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	131.5653	0.520	3	131.5653	0.271	3	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	124.0250	0.598	8	124.0250	0.358	8	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[5]N[5]2){1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,6|C<3>}	131.2195	0.955	2	131.2195	0.913	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ru)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<3>,3|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ru)(C[6a]C[6a]2){1|H<1>,6|C<3>}	125.8690	0.000	1	125.8690	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|C<3>,1|C<4>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	126.7060	0.000	1	126.7060	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	124.1820	0.000	1	124.1820	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](N[5]C[5,6a]Te)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(C[5]N[5]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Te<3>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Te)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	127.5315	0.384	2	127.5315	0.147	2	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	119.6250	0.000	1	119.6250	0.000	1	122.1861	14.568	261	120.8134	3.516	5703	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-3:C[6a]-3:C[5]-4:	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[4,5]C[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[4,5]C[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|C<3>,4|H<1>}	120.8985	0.691	4	120.8985	0.477	4	120.8985	0.477	4	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	121.4128	1.684	4	121.4128	2.836	4	121.1783	1.285	12	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.1935	1.143	4	121.1935	1.306	4	121.1783	1.285	12	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9288	0.642	4	120.9288	0.413	4	121.1783	1.285	12	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.2270	1.155	2	121.2270	1.335	2	121.1544	0.757	12	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.2865	1.179	2	121.2865	1.389	2	121.1544	0.757	12	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	121.0635	0.059	2	121.0635	0.003	2	121.1544	0.757	12	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|H<1>,5|C<3>}	121.2985	1.399	2	121.2985	1.958	2	121.1544	0.757	12	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|F<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF){1|C<4>,4|H<1>,5|C<3>}	120.7695	0.585	2	121.0255	1.157	4	121.1544	0.757	12	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|F<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF){1|C<4>,4|H<1>,5|C<3>}	121.2815	1.694	2	121.0255	1.157	4	121.1544	0.757	12	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:B[5]-4:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	121.3118	2.570	4	121.3118	6.603	4	121.3118	6.603	4	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:P[5]-4:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]C[5]CO)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]C[5]CO){2|H<1>,6|C<3>}	121.0310	4.090	4	121.0310	16.727	4	121.0310	16.727	4	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C[5]-4:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6]O)(C[5]C[5]CH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6]O)(C[5]C[5]CH){4|C<3>,4|H<1>}	121.1730	2.649	2	121.1730	7.016	2	121.1730	7.016	2	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){2|C<3>,2|C<4>,4|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<2>,1|C<4>,1|F<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){4|C<3>,6|F<1>}	122.2223	1.442	4	122.2223	2.080	4	122.2223	2.080	4	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	121.0070	0.775	2	121.0070	0.601	2	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|F<1>}	120.5510	0.000	1	120.5510	0.000	1	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|I<1>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,4|H<1>}	121.3220	1.293	2	121.3220	1.671	2	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){3|H<1>,6|C<3>}	121.0875	0.487	4	120.9192	1.749	12	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){4|C<3>,6|H<1>}	120.7022	0.516	4	120.9192	1.749	12	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.0865	2.295	2	120.9192	1.749	12	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|Ir<6>,1|C<4>,3|H<1>,4|C<3>}	120.8495	3.478	2	120.9192	1.749	12	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,6|H<1>}	120.5420	2.523	2	120.8870	2.361	4	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.2320	0.492	2	120.8870	2.361	4	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	121.2780	0.525	2	121.3630	1.242	26	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	121.3715	2.621	2	121.3630	1.242	26	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	121.5665	2.467	2	121.3630	1.242	26	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,6|C<3>}	121.4155	0.995	2	121.3630	1.242	26	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	121.3360	0.917	14	121.3630	1.242	26	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	121.3678	1.387	4	121.3630	1.242	26	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP){3|H<1>,5|C<3>}	121.0495	0.227	2	121.0495	0.052	2	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.5825	0.016	2	120.5825	0.000	2	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.7210	1.503	2	120.5090	1.933	4	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|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>}	120.2970	1.833	2	120.5090	1.933	4	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	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>}	120.3790	0.341	2	120.3790	0.116	2	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.5875	0.749	2	120.5875	0.561	2	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,3|H<1>,5|C<3>}	120.6755	3.102	2	120.6755	9.623	2	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|S<1>,2|H<1>,5|C<3>}	120.8787	2.459	4	120.8787	6.049	4	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|O<2>,1|S<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	120.6325	1.081	2	120.6325	1.169	2	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO){2|C<4>,4|C<3>,4|H<1>}	120.6950	2.102	2	120.6950	4.416	2	121.0142	1.568	69	121.1007	1.998	111	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	122.9250	0.000	1	122.9250	0.000	1	124.5360	1.299	5	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	125.7990	0.000	1	125.0100	1.245	2	124.5360	1.299	5	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	124.2210	0.000	1	125.0100	1.245	2	124.5360	1.299	5	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|Cl<1>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	125.4540	0.000	1	125.4540	0.000	1	124.5360	1.299	5	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	124.2810	0.000	1	124.2810	0.000	1	124.5360	1.299	5	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|N<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|N<2>,2|F<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,2|F<1>,4|C<3>}	122.6059	0.968	10	122.6059	0.937	10	122.6059	0.937	10	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	118.4730	0.000	1	118.4730	0.000	1	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	117.7540	0.000	1	117.7540	0.000	1	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	120.1760	0.000	1	120.1760	0.000	1	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|Cl<1>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	117.9170	0.000	1	117.9170	0.000	1	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	119.3230	0.000	1	119.3230	0.000	1	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	119.9410	0.000	1	119.9410	0.000	1	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	119.4022	0.453	4	119.5028	0.205	5	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	119.9050	0.000	1	119.5028	0.205	5	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	119.8400	0.000	1	119.8400	0.000	1	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])2(H){3|N<2>,4|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	117.6565	1.370	4	117.6565	1.876	4	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,5|H<1>}	120.2890	0.000	1	120.2890	0.000	1	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	120.8354	0.628	8	120.8354	0.395	8	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	120.5250	3.687	4	120.5250	13.593	4	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	120.7395	1.046	2	120.7395	1.094	2	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	120.6513	2.295	4	120.8875	3.269	22	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	121.3010	2.239	4	120.8875	3.269	22	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	121.3410	1.891	2	120.8875	3.269	22	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){3|H<1>,4|C<3>}	120.9575	2.490	2	120.8875	3.269	22	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	120.8395	1.327	2	120.8875	3.269	22	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	120.6800	1.875	8	120.8875	3.269	22	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|C<4>,2|C<3>,3|H<1>}	121.3740	0.498	2	120.9078	1.932	16	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|C<4>,2|C<3>,3|H<1>}	121.2975	2.659	2	120.9078	1.932	16	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|C<4>,2|C<3>,3|H<1>}	120.8715	1.315	6	120.9078	1.932	16	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	120.3665	1.783	4	120.9078	1.932	16	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	121.2435	1.150	2	120.9078	1.932	16	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	120.5725	0.005	2	120.5725	0.000	2	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	120.4560	2.182	2	120.4560	4.762	2	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){3|H<1>,4|C<3>}	121.2825	0.194	2	121.1340	0.055	4	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.9855	0.196	2	121.1340	0.055	4	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	120.4647	0.695	4	120.4727	0.281	10	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){3|C<3>,3|H<1>}	120.3995	0.951	2	120.4727	0.281	10	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	120.5500	0.170	2	120.4727	0.281	10	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){3|C<3>,3|H<1>}	120.4845	0.353	2	120.4727	0.281	10	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	121.2253	1.932	4	121.2253	3.734	4	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5,5]){3|H<1>,5|C<3>}	120.5122	0.204	10	120.5122	0.041	10	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	120.8205	0.452	2	120.8537	0.387	37	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	121.2330	1.577	2	120.8537	0.387	37	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){4|C<3>,4|H<1>}	121.3053	0.580	4	120.8537	0.387	37	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	120.9930	0.337	2	120.8537	0.387	37	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	120.5547	0.671	4	120.8537	0.387	37	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	120.8665	0.668	10	120.8537	0.387	37	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){2|C<3>,6|H<1>}	120.6780	0.725	2	120.8537	0.387	37	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,5|H<1>}	120.4845	0.135	2	120.8537	0.387	37	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){4|C<3>,4|H<1>}	120.9087	0.116	4	120.8537	0.387	37	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	120.6715	0.854	4	120.8537	0.387	37	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,5|H<1>}	120.7430	0.000	1	120.8537	0.387	37	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	120.8295	0.409	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	120.8536	0.574	24	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	120.4910	2.003	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	120.6865	0.514	28	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|H<1>}	120.5935	0.573	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	120.8991	0.662	12	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|H<1>}	121.2760	1.164	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	121.1728	0.709	26	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	120.9410	1.744	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	121.0217	0.986	4	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.4845	1.678	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	120.9165	1.572	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	120.4795	0.104	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	120.6085	0.527	4	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	120.5628	0.330	6	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|H<1>,4|C<3>}	119.9445	0.667	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){2|H<1>,5|C<3>}	120.5305	0.175	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|H<1>}	120.6125	1.387	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	120.7133	0.759	47	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	120.6010	1.458	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	120.9975	0.255	4	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	120.7705	0.261	4	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|H<1>}	121.1055	1.268	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	121.0310	0.599	30	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	120.9530	0.570	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	120.4595	1.037	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	121.0130	0.535	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	120.5400	1.184	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	120.8200	0.629	48	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	120.9280	1.171	2	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	121.2350	0.000	1	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	120.4335	0.667	8	120.8222	0.470	282	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	120.7037	0.554	4	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|C<3>,3|H<1>}	120.6345	0.094	2	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){3|C<3>,3|H<1>}	121.1222	0.524	6	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|C<3>,3|H<1>}	120.7052	0.537	14	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){3|C<3>,3|H<1>}	120.9228	0.696	4	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	120.9085	0.660	2	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){3|C<3>,3|H<1>}	121.2690	0.392	2	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.6065	0.660	2	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|C<3>,3|H<1>}	120.5650	1.433	2	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	120.7190	0.455	2	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){3|C<3>,3|H<1>}	120.5630	0.485	2	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	120.2780	0.600	2	120.7772	0.316	44	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	120.9105	2.201	2	120.9105	4.845	2	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(N[5]C[5]){3|H<1>,4|C<3>}	120.9250	2.144	2	120.9250	4.597	2	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	120.3898	0.704	4	120.3898	0.496	4	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]HN)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,3|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]HN)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	120.9520	1.175	2	120.9520	1.381	2	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5,5]){2|H<1>,4|C<3>}	120.5935	1.155	2	120.5935	1.333	2	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	120.3640	0.030	2	120.3640	0.001	2	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6307	1.029	6	120.5885	0.856	8	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	120.4620	0.812	2	120.5885	0.856	8	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	120.4930	1.417	2	120.2477	1.185	3	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	119.7570	0.000	1	120.2477	1.185	3	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|C<3>,3|H<1>}	121.5750	0.396	2	121.5750	0.157	2	120.7389	0.880	491	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[5]-4:N[5]-2:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(P[5]C[5]CC)(N[5]B[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|P<4>,2|H<1>}	C[5](C[6a]C[6a]2)(P[5]C[5]CC)(N[5]B[5]){4|C<3>,4|H<1>}	120.7670	4.542	2	120.7670	20.634	2	120.7670	20.634	2	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	121.1560	0.000	1	121.1560	0.000	1	120.7701	0.278	8	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	120.1140	0.000	1	120.7150	0.296	7	120.7701	0.278	8	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	120.9995	0.463	2	120.7150	0.296	7	120.7701	0.278	8	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	120.7230	0.588	4	120.7150	0.296	7	120.7701	0.278	8	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	119.4860	0.000	1	119.4860	0.000	1	119.9706	0.733	9	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	121.1710	0.000	1	120.2650	0.422	7	119.9706	0.733	9	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	119.7240	0.453	2	120.2650	0.422	7	119.9706	0.733	9	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|H<1>,4|C<3>}	120.3090	0.553	4	120.2650	0.422	7	119.9706	0.733	9	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	118.3940	0.000	1	118.3940	0.000	1	119.9706	0.733	9	120.7981	1.114	525	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5,6]P[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Au)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]P[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Au<2>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|P<4>,2|C<4>,4|C<3>}	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>}	120.9200	0.888	2	120.9200	0.789	2	120.9200	0.789	2	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6]-3:C[5]-4:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]F)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,3|C<3>,3|H<1>}	122.0558	0.746	4	122.0558	0.556	4	122.0558	0.556	4	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,6|C<3>,7|H<1>}	121.4460	2.806	2	121.4460	7.873	2	121.6235	4.154	6	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	122.1415	1.744	2	122.1415	3.043	2	121.6235	4.154	6	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	121.2830	3.004	2	121.2830	9.023	2	121.6235	4.154	6	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	121.8190	0.000	1	121.8190	0.000	1	121.1034	0.468	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	121.3950	0.185	2	121.3950	0.034	2	121.1034	0.468	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]B[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]B[5]H)(C[6a]C[6a]2){1|N<3>,5|H<1>,7|C<3>}	120.9490	0.394	4	120.9490	0.155	4	121.1034	0.468	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|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>}	120.9385	1.001	4	120.9385	1.002	4	121.1034	0.468	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]P[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.1540	0.303	2	121.1540	0.092	2	121.1034	0.468	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|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){3|H<1>,3|O<2>,6|C<3>}	121.1455	0.394	2	121.1838	0.075	4	121.1034	0.468	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.2220	0.250	2	121.1838	0.075	4	121.1034	0.468	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9922	1.236	4	120.9922	1.527	4	121.1034	0.468	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5,5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]N)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|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>}	121.0637	0.257	4	121.0637	0.066	4	121.0410	0.059	6	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5,5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]P[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|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>}	120.9955	0.301	2	120.9955	0.090	2	121.0410	0.059	6	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	120.4845	1.586	2	120.4845	2.516	2	120.4845	2.516	2	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	120.3990	1.844	4	120.3990	3.401	4	120.8359	1.620	14	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	120.9265	1.692	2	120.9376	0.659	8	120.8359	1.620	14	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|C<4>,6|H<1>,7|C<3>}	120.8740	0.745	4	120.9376	0.659	8	120.8359	1.620	14	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){2|O<1>,3|C<4>,4|H<1>,5|C<3>}	121.0760	0.177	2	120.9376	0.659	8	120.8359	1.620	14	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	121.3025	2.228	2	121.3025	4.964	2	120.8359	1.620	14	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5,6]P[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Au)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]P[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Au<2>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	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>}	119.9715	1.521	2	119.9715	2.313	2	120.8848	2.098	10	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|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>}	121.1437	2.179	4	121.1437	4.750	4	120.8848	2.098	10	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)2{1|Re<6>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|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>}	121.0825	0.275	4	121.0825	0.076	4	120.8848	2.098	10	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]C[5,6]Si[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]Si[5])(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.5225	0.114	2	120.5225	0.013	2	120.5225	0.013	2	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	121.1230	0.583	2	121.1230	0.339	2	121.1230	0.339	2	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5,6a]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]P[5])(C[6a]C[6a]H)2{1|S<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2){2|H<1>,8|C<3>}	119.7740	0.396	2	119.7740	0.157	2	119.7740	0.157	2	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:B[5,5]-4:C[6a]-3:	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2)	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	121.3565	2.125	16	121.3565	4.514	16	121.3075	4.344	18	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:B[5,5]-4:C[6a]-3:	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2)	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	120.9155	2.408	2	120.9155	5.797	2	121.3075	4.344	18	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:B[5]-4:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|Cl<1>,1|B<3>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	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>}	120.7195	1.412	2	120.7195	1.994	2	120.7195	1.994	2	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5,5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	121.3227	0.731	8	121.3227	0.534	8	121.2581	1.087	20	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5,5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9887	1.131	4	121.2150	1.532	12	121.2581	1.087	20	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5,5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.3281	1.347	8	121.2150	1.532	12	121.2581	1.087	20	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Ge[5]-4:C[6a]-3:	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]H)2{2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.9542	2.096	22	120.9542	4.394	22	120.9542	4.394	22	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[4,5]C[6a])(P[5]P[4,5]CO)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[4,5]C[6a])(P[5]P[4,5]CO)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	120.8390	1.444	2	120.8390	2.085	2	121.1532	3.590	6	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]HW)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|W<6>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]HW)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.7500	1.547	2	120.7500	2.394	2	121.1532	3.590	6	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.8705	3.453	2	121.8705	11.922	2	121.1532	3.590	6	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-4:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	121.1280	0.675	2	120.9090	0.470	4	120.9187	0.719	20	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-4:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	120.6900	0.874	2	120.9090	0.470	4	120.9187	0.719	20	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-4:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.0653	1.057	6	120.9211	0.816	16	120.9187	0.719	20	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-4:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.5575	0.705	2	120.9211	0.816	16	120.9187	0.719	20	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-4:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.0475	0.479	2	120.9211	0.816	16	120.9187	0.719	20	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-4:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.0385	0.097	2	120.9211	0.816	16	120.9187	0.719	20	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-4:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.7647	1.339	4	120.9211	0.816	16	120.9187	0.719	20	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.2905	2.737	2	121.2905	7.492	2	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.3313	2.420	12	121.2895	3.994	65	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.4429	2.373	12	121.2895	3.994	65	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){1|O<2>,4|C<3>,5|H<1>}	120.8845	0.733	2	121.2895	3.994	65	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|Si<4>,1|H<1>,2|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>}	121.1780	0.735	3	121.2895	3.994	65	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<2>,1|H<1>,2|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>}	120.8480	2.013	4	121.2895	3.994	65	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|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>}	121.6180	3.035	4	121.2895	3.994	65	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|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>}	121.1971	1.844	20	121.2895	3.994	65	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.4274	1.732	8	121.2895	3.994	65	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.1202	2.319	4	121.1202	5.378	4	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.2054	2.644	18	121.2054	6.993	18	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	120.7915	0.788	4	120.7915	0.621	4	121.2446	4.359	93	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	119.9545	0.026	2	120.0317	0.049	6	121.0993	2.497	30	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	120.0703	0.275	4	120.0317	0.049	6	121.0993	2.497	30	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	120.5215	2.232	2	120.9969	0.870	16	121.0993	2.497	30	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	121.3725	1.892	2	120.9969	0.870	16	121.0993	2.497	30	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){3|C<3>,5|H<1>}	121.0542	0.550	8	120.9969	0.870	16	121.0993	2.497	30	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){3|C<3>,5|H<1>}	120.9320	0.731	4	120.9969	0.870	16	121.0993	2.497	30	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	121.5555	0.585	2	121.5555	0.342	2	121.0993	2.497	30	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	121.3130	3.944	2	121.3427	10.718	4	121.0993	2.497	30	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	121.3725	4.074	2	121.3427	10.718	4	121.0993	2.497	30	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir){3|C<3>,4|H<1>}	124.2140	0.000	1	124.2140	0.000	1	121.0993	2.497	30	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh){3|C<3>,4|H<1>}	124.1430	0.000	1	124.1430	0.000	1	121.0993	2.497	30	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[5]-4:C[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(P[5]C[5]CS)(C[5]C[5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|S<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	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>}	120.8167	1.048	12	120.8167	1.099	12	120.8167	1.099	12	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H){1|N<2>,1|O<1>,2|N<3>,4|H<1>}	118.0500	0.000	1	118.0500	0.000	1	118.0500	0.000	1	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5,6]-4:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]2)(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(H){1|C<4>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,6|H<1>}	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	120.6820	0.000	1	120.6820	0.000	1	120.6820	0.000	1	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,4|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>}	121.8790	0.000	1	121.8790	0.000	1	121.8790	0.000	1	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	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>}	122.6040	0.000	1	122.6040	0.000	1	122.6040	0.000	1	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<4>,1|F<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>}	123.2509	0.325	8	123.2509	0.106	8	123.2509	0.106	8	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	121.0140	0.000	1	121.0140	0.000	1	120.9604	1.390	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.6990	0.000	1	118.6990	0.000	1	120.9604	1.390	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8870	0.330	2	120.8870	0.109	2	120.9604	1.390	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	121.3115	0.969	2	121.0733	0.664	6	120.9604	1.390	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	120.9915	1.442	2	121.0733	0.664	6	120.9604	1.390	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|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>}	120.9170	0.354	2	121.0733	0.664	6	120.9604	1.390	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	121.1335	0.303	2	121.1335	0.092	2	120.9604	1.390	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	120.9175	2.555	2	120.9175	6.527	2	120.9604	1.390	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.9680	0.000	1	121.9680	0.000	1	120.9604	1.390	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|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>}	120.7160	0.631	2	120.7160	0.398	2	120.9604	1.390	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<3>,1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2){1|Si<4>,3|H<1>,5|C<3>}	121.1850	1.893	4	121.1850	3.583	4	120.9604	1.390	21	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|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>}	119.9260	0.000	1	119.9260	0.000	1	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]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){3|H<1>,5|C<3>}	121.4740	0.000	1	121.4740	0.000	1	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){3|C<3>,5|H<1>}	115.7720	2.421	2	115.7720	5.862	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|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>}	120.1920	0.000	1	120.1920	0.000	1	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	119.4370	0.000	1	119.4370	0.000	1	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|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>}	118.2020	1.113	2	118.2020	1.239	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,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>}	121.5060	0.000	1	121.5060	0.000	1	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	119.1580	0.000	1	119.1580	0.000	1	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){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]H){2|C<3>,6|H<1>}	120.4290	0.455	2	120.4290	0.207	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){4|C<3>,4|H<1>}	120.5855	1.500	2	120.5855	2.249	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|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>}	120.9475	2.193	2	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	121.0605	1.869	4	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){4|C<3>,4|H<1>}	120.7940	0.346	2	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	121.6710	1.404	4	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,6|H<1>}	120.9578	1.451	4	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|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>}	121.4502	1.456	4	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|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>}	120.9285	1.864	8	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|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>}	121.4580	2.076	2	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	121.3175	2.689	2	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	121.5990	2.284	2	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|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>}	121.2680	1.645	2	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	121.4008	2.309	4	121.2089	2.485	40	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N){2|C<2>,3|C<3>,3|H<1>}	121.2488	1.422	4	121.2488	2.023	4	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|H<1>,4|C<3>}	121.7625	0.385	2	121.2652	0.422	4	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|C<3>,4|H<1>}	120.7680	0.356	2	121.2652	0.422	4	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C){2|H<1>,3|C<3>}	121.0945	1.166	2	121.0945	1.360	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){1|N<3>,3|C<3>,4|H<1>}	120.7537	0.848	8	120.7537	0.719	8	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){2|C<3>,6|H<1>}	121.7965	1.172	2	121.1393	0.922	8	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8710	0.387	2	121.1393	0.922	8	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|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>}	120.9447	1.122	4	121.1393	0.922	8	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,3|H<1>}	121.0925	1.322	2	121.0925	1.747	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){4|C<3>,4|H<1>}	121.9660	2.090	2	121.2725	3.876	8	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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]C){1|C<2>,2|H<1>,4|C<3>}	120.9405	2.767	2	121.2725	3.876	8	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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]C){3|C<3>,4|H<1>}	121.0825	2.678	2	121.2725	3.876	8	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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]C){2|H<1>,4|C<3>}	121.1010	2.574	2	121.2725	3.876	8	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){3|H<1>,5|C<3>}	121.0935	1.537	2	121.3829	0.430	39	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){4|C<3>,4|H<1>}	121.0630	0.817	2	121.3829	0.430	39	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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]H){1|C<4>,2|C<3>,5|H<1>}	121.3310	0.573	2	121.3829	0.430	39	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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]H){4|C<3>,4|H<1>}	120.9947	0.742	4	121.3829	0.430	39	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){4|C<3>,4|H<1>}	121.5755	0.405	2	121.3829	0.430	39	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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]H){2|C<3>,6|H<1>}	121.6565	0.049	2	121.3829	0.430	39	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	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>}	120.8685	0.190	2	121.3829	0.430	39	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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>}	121.7095	0.863	10	121.3829	0.430	39	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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]H){2|H<1>,4|C<3>}	121.2565	0.173	4	121.3829	0.430	39	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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]H){3|C<3>,3|H<1>}	120.9773	0.145	3	121.3829	0.430	39	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|H<1>,4|C<3>}	121.6208	0.344	6	121.3829	0.430	39	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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){1|C<2>,3|H<1>,4|C<3>}	120.5740	1.814	2	120.9842	3.830	18	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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){1|C<4>,2|C<3>,5|H<1>}	120.7390	1.977	2	120.9842	3.830	18	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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){1|O<2>,2|C<3>,5|H<1>}	120.9435	2.900	2	120.9842	3.830	18	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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){1|S<2>,2|C<3>,5|H<1>}	121.1055	3.778	2	120.9842	3.830	18	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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){3|C<3>,5|H<1>}	120.9405	2.013	8	120.9842	3.830	18	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	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>}	121.7340	2.287	2	120.9842	3.830	18	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){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]O){2|C<3>,2|C<4>,4|H<1>}	120.8690	0.591	2	120.8690	0.349	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	121.3320	0.909	6	121.3320	0.826	6	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H){2|H<1>,4|C<3>}	120.2945	0.521	2	120.2945	0.272	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]H){1|S<4>,3|C<3>,3|H<1>}	121.6890	2.498	2	121.6890	6.238	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8045	1.165	2	120.8045	1.356	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){1|S<4>,3|C<3>,3|H<1>}	121.0790	1.616	2	121.0790	2.613	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C){1|S<4>,3|C<3>,3|H<1>}	121.2305	0.303	2	121.2305	0.092	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8590	0.576	2	120.8590	0.331	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C){2|H<1>,3|C<3>}	121.7675	0.803	4	121.7675	0.645	4	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,2|C<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	120.6459	1.712	8	121.0022	3.635	16	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	121.2195	2.040	4	121.0022	3.635	16	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	121.8270	2.686	2	121.0022	3.635	16	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.1680	3.418	2	121.0022	3.635	16	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9240	0.626	4	120.9240	0.392	4	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9505	0.071	2	120.9505	0.005	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	121.3960	0.048	2	121.3960	0.002	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,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>}	121.7170	0.000	1	120.7989	1.861	11	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	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>}	119.9147	1.668	4	120.7989	1.861	11	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,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>}	120.8505	1.807	2	120.7989	1.861	11	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	121.4278	0.692	4	120.7989	1.861	11	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,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>}	120.0700	0.000	1	120.0700	0.000	1	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|C<3>,2|C<4>,3|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,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>}	119.8725	0.886	2	119.8725	0.785	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,2|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>}	122.0530	1.533	2	122.0530	2.350	2	121.0297	2.057	211	121.0935	2.525	539	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])2(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|O<2>,2|C<3>,5|H<1>}	125.0410	0.000	1	125.0410	0.000	1	125.0410	0.000	1	125.0410	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:N[5]-2:C[6a]-3:	C[6a](C[5]C[5,6,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.8750	1.331	8	120.8750	1.771	8	120.8750	1.771	8	120.8213	4.525	12	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-2:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5,6]Br2)(N[5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5,6]Br2)(N[5]C[5,5,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	120.7140	3.526	4	120.7140	12.434	4	120.7140	12.434	4	120.8213	4.525	12	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]Cl)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.5920	0.502	2	121.5920	0.252	2	121.5920	0.252	2	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,5|C<3>}	121.9241	1.049	8	121.9113	0.900	10	122.0307	0.721	24	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|S<2>,5|C<3>}	121.8600	0.626	2	121.9113	0.900	10	122.0307	0.721	24	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,5|C<3>}	122.1106	0.836	10	122.1106	0.699	10	122.0307	0.721	24	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,5|C<3>}	122.1292	0.802	4	122.1292	0.643	4	122.0307	0.721	24	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5,5]N[5]O[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	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>}	118.2480	0.000	1	118.2480	0.000	1	118.2480	0.000	1	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,3|C<3>,6|H<1>}	118.2130	0.000	1	118.2130	0.000	1	120.3647	0.927	19	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,6|H<1>}	120.4845	0.755	6	120.4845	0.569	6	120.3647	0.927	19	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5]){3|H<1>,8|C<3>}	120.5385	1.890	2	120.3868	2.159	4	120.3647	0.927	19	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5]){3|H<1>,8|C<3>}	120.2350	1.677	2	120.3868	2.159	4	120.3647	0.927	19	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	120.6830	1.389	2	120.5329	0.346	8	120.3647	0.927	19	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|N<2>}	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	120.7725	0.252	2	120.5329	0.346	8	120.3647	0.927	19	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	120.3380	0.196	4	120.5329	0.346	8	120.3647	0.927	19	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[4,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[4,5]C[4,5]S[4]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[4,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[4,5]C[4,5]S[4]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	120.3440	0.168	2	120.3440	0.028	2	120.8415	4.785	10	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[4,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[4,5]C[4]C[5]N[4])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[4,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[4,5]C[4]C[5]N[4])(C[6a]C[6a]2)(N[5]N[5]){2|C<4>,2|H<1>,5|C<3>}	120.9659	2.462	8	120.9659	6.059	8	120.8415	4.785	10	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5,6]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]O[5]){2|C<3>,3|C<4>,4|H<1>}	121.0650	0.484	4	121.0650	0.235	4	121.0650	0.235	4	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	119.8970	0.000	1	119.8970	0.000	1	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,6|C<3>}	119.1040	0.000	1	119.1040	0.000	1	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	120.3760	0.723	2	120.3760	0.522	2	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]2H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.8145	0.820	2	120.8145	0.672	2	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,1|O<1>,3|H<1>,6|C<3>}	120.5025	4.260	2	120.4165	6.690	6	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,1|O<1>,3|H<1>,6|C<3>}	120.3735	2.257	4	120.4165	6.690	6	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	120.4925	2.273	2	120.4925	5.168	2	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]N[5]){2|C<4>,3|C<3>,5|H<1>}	121.1295	1.925	2	121.1295	3.707	2	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	120.3225	1.848	2	120.3225	3.414	2	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	120.5635	0.052	2	120.4827	1.750	6	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	120.5970	1.915	2	120.4827	1.750	6	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	120.2875	2.228	2	120.4827	1.750	6	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.9255	1.068	2	120.5087	0.824	8	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	120.1462	0.960	4	120.5087	0.824	8	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){2|C<4>,3|C<3>,3|H<1>}	120.8170	0.895	2	120.5087	0.824	8	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	120.4720	0.536	2	120.4720	0.287	2	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	120.5405	1.880	2	120.5405	3.535	2	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<3>,1|S<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	120.8808	2.733	4	120.8783	11.447	6	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|S<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	120.8735	5.901	2	120.8783	11.447	6	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,2|H<1>,8|C<3>}	120.2240	2.926	2	120.2240	8.562	2	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6a]){3|C<4>,4|C<3>,5|H<1>}	120.9860	2.437	4	120.9860	5.939	4	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	121.4522	3.039	4	121.2163	6.306	8	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	120.9802	2.309	4	121.2163	6.306	8	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,5|C<3>,5|H<1>}	121.0235	1.916	2	120.8970	1.748	4	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	120.7705	1.230	2	120.8970	1.748	4	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(N[5]C[5,6a]){1|N<2>,3|H<1>,6|C<3>}	120.6480	1.968	4	120.6480	3.871	4	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,4|H<1>,6|C<3>}	120.8780	0.687	2	120.5654	1.293	14	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	120.7090	1.116	2	120.5654	1.293	14	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	121.0230	1.759	2	120.5654	1.293	14	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	120.1375	0.519	6	120.5654	1.293	14	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,5|C<3>}	120.9350	2.937	2	120.5654	1.293	14	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	120.3092	2.182	4	120.3092	4.763	4	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,6|C<3>}	122.1140	0.000	1	122.1140	0.000	1	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	120.7090	1.597	2	120.7090	2.549	2	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5]){2|O<1>,4|C<3>,4|H<1>}	120.4350	0.841	2	120.4822	0.648	6	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5]){2|O<1>,4|C<3>,4|H<1>}	120.4385	1.056	2	120.4822	0.648	6	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5]){2|O<1>,4|C<3>,4|H<1>}	120.5730	1.179	2	120.4822	0.648	6	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	121.0415	2.030	2	121.0415	4.121	2	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,4|H<1>,6|C<3>}	120.9340	2.032	2	121.0554	5.796	14	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,1|O<1>,3|H<1>,6|C<3>}	120.7293	3.981	4	121.0554	5.796	14	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	120.9150	4.028	2	121.0554	5.796	14	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,7|C<3>}	121.3602	1.130	6	121.0554	5.796	14	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	121.1180	0.553	2	121.1180	0.306	2	120.7065	3.155	109	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	120.3870	2.167	2	120.3870	4.694	2	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]){2|C<4>,3|H<1>,5|C<3>}	120.6090	0.508	2	120.6090	0.258	2	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	120.8270	1.380	2	120.8270	1.905	2	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	120.3205	1.733	2	120.5322	3.189	10	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	120.6255	0.507	2	120.5322	3.189	10	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	120.6280	4.173	2	120.5322	3.189	10	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	120.5435	1.623	4	120.5322	3.189	10	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,3|H<1>,4|C<3>}	120.7045	1.832	4	120.8413	1.716	14	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,3|H<1>,4|C<3>}	121.6565	1.900	2	120.8413	1.716	14	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,3|H<1>,4|C<3>}	120.6260	0.531	6	120.8413	1.716	14	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,3|H<1>,4|C<3>}	120.9455	2.348	2	120.8413	1.716	14	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	120.6885	4.078	2	120.6360	8.855	4	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	120.5835	3.150	2	120.6360	8.855	4	120.6850	2.583	34	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	122.5020	0.000	1	122.5020	0.000	1	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,2|H<1>,5|C<3>}	121.1480	0.000	1	121.1480	0.000	1	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	120.5805	2.280	4	120.5805	5.200	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	120.5545	1.555	4	120.6563	0.748	12	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	120.7073	0.359	8	120.6563	0.748	12	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|S<2>,2|H<1>,5|C<3>}	121.0045	0.257	2	120.8006	0.255	11	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|S<2>,2|H<1>,5|C<3>}	120.7425	0.726	2	120.8006	0.255	11	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|H<1>,6|C<3>}	120.6920	0.960	2	120.8006	0.255	11	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	120.8840	0.933	2	120.8006	0.255	11	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|S<2>,2|H<1>,5|C<3>}	120.7140	0.137	2	120.8006	0.255	11	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,2|H<1>,5|C<3>}	120.7330	0.000	1	120.8006	0.255	11	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]Cl2)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]Cl2)(C[6a]C[6a]2)(N[5]C[5,5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	120.5915	2.385	4	120.5915	5.690	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,3|H<1>,4|C<3>}	120.5550	0.283	6	120.5883	0.160	10	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.6382	0.583	4	120.5883	0.160	10	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	120.4820	0.682	2	120.4820	0.465	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	121.0870	0.185	2	120.8322	0.233	6	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	120.8840	0.164	2	120.8322	0.233	6	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5]){1|S<4>,2|H<1>,4|C<3>}	120.5255	0.883	2	120.8322	0.233	6	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2415	1.350	2	120.3012	0.440	8	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	120.3610	0.554	4	120.3012	0.440	8	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,2|H<1>,3|C<3>}	120.2415	0.555	2	120.3012	0.440	8	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	120.4800	1.339	2	120.4800	1.794	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	120.6080	2.350	2	120.6080	5.524	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	120.8430	0.731	6	120.8857	0.375	12	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	120.7660	0.525	4	120.8857	0.375	12	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,2|H<1>,6|C<3>}	121.2530	0.540	2	120.8857	0.375	12	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	120.4545	0.250	2	120.7487	0.412	28	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,2|H<1>,5|C<3>}	120.2825	1.870	2	120.7487	0.412	28	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	121.2370	0.226	2	120.7487	0.412	28	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|S<2>,2|H<1>,5|C<3>}	120.6435	1.080	2	120.7487	0.412	28	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	121.0001	0.405	8	120.7487	0.412	28	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	120.6439	0.560	12	120.7487	0.412	28	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,4|H<1>}	120.5325	0.578	2	120.5325	0.334	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,3|C<3>,3|H<1>}	120.5547	0.787	4	120.6413	0.976	6	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,3|C<3>,3|H<1>}	120.8145	1.712	2	120.6413	0.976	6	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	120.7500	1.706	2	120.6573	1.704	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,5|C<3>}	120.5645	1.473	2	120.6573	1.704	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,3|C<3>}	120.6350	0.352	2	120.6968	0.731	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	120.7585	1.433	2	120.6968	0.731	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	120.5220	1.848	2	120.5220	3.416	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	120.4190	1.780	2	120.4190	3.170	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	120.8790	3.538	2	120.8790	12.520	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	120.5605	1.068	2	120.5605	1.142	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	120.8955	3.135	2	120.8955	9.826	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	120.6735	1.566	2	120.6393	2.045	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	120.6050	1.918	2	120.6393	2.045	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(N[5]S[5]){2|O<1>,3|H<1>,6|C<3>}	120.8612	3.174	4	120.8612	10.072	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,6|C<3>}	120.8040	0.310	2	120.8040	0.096	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	120.5730	3.264	2	120.5730	10.654	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,6|C<3>}	120.6725	0.513	2	120.6725	0.263	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){3|H<1>,6|C<3>}	120.8455	0.474	6	120.8455	0.225	6	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]N)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]C[5]N)(C[6a]C[6a]2)(N[5]N[5]){1|Ni<6>,4|H<1>,5|C<3>}	120.9317	1.560	4	120.9317	2.435	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|S<4>,3|H<1>,5|C<3>}	120.3815	1.870	2	120.3815	3.498	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	120.4278	1.277	14	120.4278	1.631	14	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,7|C<3>}	120.5618	2.828	4	120.5618	8.000	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,3|H<1>,4|C<3>}	120.4348	2.757	4	120.4348	7.602	4	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,2|H<1>,4|C<3>}	120.5850	0.146	2	120.5850	0.021	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]N[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]N[5,5]){2|H<1>,4|C<3>}	120.0815	0.820	2	120.0815	0.672	2	120.6679	1.399	181	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|S<2>,2|H<1>,5|C<3>}	120.3820	1.188	2	120.3820	1.411	2	120.3820	1.411	2	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]CS)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|P<4>,2|H<1>}	C[5](P[5]C[5,6a]CS)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	120.7710	1.822	2	120.7710	3.318	2	120.7710	3.318	2	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]Si[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]Si[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](Si[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){4|Si<4>,2|C<4>,2|H<1>,3|C<3>}	122.6200	1.840	2	122.6200	3.385	2	122.6200	3.385	2	120.7654	2.114	390	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	123.2260	0.000	1	123.2260	0.000	1	123.2260	0.000	1	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	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>}	123.0445	3.311	2	123.0445	10.965	2	122.6156	2.515	9	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	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>}	123.6830	2.059	2	123.6830	4.240	2	122.6156	2.515	9	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](B[5]C[6a]C[5]C)(C[5]C[3]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<2>,2|C<3>,2|F<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	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>}	122.3390	0.000	1	122.3390	0.000	1	122.6156	2.515	9	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<2>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	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>}	121.9365	0.341	4	121.9365	0.116	4	122.6156	2.515	9	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<4>,1|S<2>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C){2|F<1>,7|C<3>}	122.5260	0.526	2	122.5260	0.277	2	122.3780	0.134	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,1|O<3>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	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>}	122.2300	0.194	2	122.2300	0.038	2	122.3780	0.134	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	As[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](As[5]C[6a]C[5]Au)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2{1|Au<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|As<4>,2|C<3>,2|H<1>}	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>}	121.0678	0.557	4	121.0678	0.310	4	121.0678	0.310	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,6,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(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[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|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>}	121.3130	1.028	2	121.2403	1.323	4	121.2618	0.933	6	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,6,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(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[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|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){4|C<3>,4|C<4>,4|H<1>}	121.1675	1.701	2	121.2403	1.323	4	121.2618	0.933	6	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,6,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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)	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2{1|B<3>,2|C<3>,2|H<1>,3|O<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<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){1|Cl<1>,2|B<3>,2|H<1>,3|B<4>,4|C<3>}	121.3050	0.829	2	121.3050	0.687	2	121.2618	0.933	6	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,6,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	120.8095	1.353	2	120.8095	1.830	2	120.8095	1.830	2	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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)	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|B<3>,2|C<3>,2|H<1>,2|O<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<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){1|B<3>,1|O<2>,2|B<4>,2|H<1>,4|C<3>}	121.0190	0.905	2	121.0190	0.819	2	121.2520	1.652	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|B<3>,2|C<3>,2|H<1>,2|O<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	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>}	121.4850	1.980	2	121.4850	3.920	2	121.2520	1.652	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	121.3953	1.351	4	121.3953	1.824	4	121.3540	3.036	31	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	120.8775	0.125	2	120.8775	0.016	2	121.3540	3.036	31	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	121.7383	1.584	3	121.7383	2.508	3	121.3540	3.036	31	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	121.0820	2.832	4	121.0820	8.020	4	121.3540	3.036	31	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	121.4955	2.204	4	121.4955	4.859	4	121.3540	3.036	31	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	121.6687	0.911	4	121.6687	0.830	4	121.3540	3.036	31	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]N[5,6]C[6a]C)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	121.2525	2.526	2	121.2525	6.383	2	121.3540	3.036	31	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	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>}	121.2417	2.113	8	121.2417	4.466	8	121.3540	3.036	31	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[3,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[3,5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.7385	1.749	2	120.7385	3.058	2	120.7385	3.058	2	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[3,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[6a](C[5]C[3,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|O<1>,4|C<3>,6|H<1>}	121.0570	0.789	2	121.0570	0.623	2	120.9522	0.613	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[3,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[3,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|P<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	120.8475	1.083	2	120.8475	1.172	2	120.9522	0.613	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	121.0300	1.489	2	121.0300	2.218	2	120.9338	1.480	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8375	1.479	2	120.8375	2.186	2	120.9338	1.480	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	121.1060	0.403	2	121.1060	0.162	2	121.1060	0.162	2	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[4,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[6a](C[5]C[4,5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	120.7805	0.138	2	120.7805	0.019	2	121.1795	0.219	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[4,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[4,5,6]C[4,5,6]C[4]O[6])(C[5]C[5a]O[5])(C[6a]C[6a]2)	C[6a](C[5]C[4,5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[4,5,6]C[4,5,6]C[4]O[6])(C[5]C[5a]O[5])(C[6a]C[6a]2){1|S<2>,2|C<4>,4|C<3>,4|H<1>}	121.5785	0.040	2	121.5785	0.002	2	121.1795	0.219	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[4,5]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[4,5]B[4,5]C[6a]C[4])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[4,5]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[4,5]B[4,5]C[6a]C[4])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,7|C<3>}	121.6610	2.247	2	121.6610	5.050	2	121.6610	5.050	2	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[4,5]C[4,5,5]C[4]C)(C[5]C[5,5]C)(C[6a]C[6a]2)	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2{2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[4,5]C[4,5,5]C[4]C)(C[5]C[5,5]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	121.4250	2.977	2	121.4250	8.862	2	121.0560	3.180	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[4,5]P[4,5]C[6a]C[4])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[4,5]P[4,5]C[6a]C[4])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|O<1>,3|H<1>,7|C<3>}	120.6870	0.365	2	120.6870	0.133	2	121.0560	3.180	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[4,5]C[4]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[4,5]C[4]2O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	120.7927	0.830	4	120.7927	0.688	4	120.7927	0.688	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]C[5]Ir)	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)2{1|Ir<8>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]C[5]Ir){1|C<4>,2|H<1>,9|C<3>}	119.9715	2.010	2	119.9715	4.041	2	119.9715	4.041	2	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|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>}	122.7270	0.000	1	122.7270	0.000	1	121.0007	2.147	23	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8540	0.280	2	120.8540	0.078	2	121.0007	2.147	23	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|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|O<1>,3|C<4>,4|C<3>,4|H<1>}	121.5770	0.914	2	120.9378	1.143	6	121.0007	2.147	23	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|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>}	120.8395	1.471	2	120.9378	1.143	6	121.0007	2.147	23	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|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|O<1>,3|C<4>,4|C<3>,4|H<1>}	120.3970	1.137	2	120.9378	1.143	6	121.0007	2.147	23	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C)(C[6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	120.9258	2.658	6	120.9258	7.066	6	121.0007	2.147	23	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,9|C<3>}	120.7410	0.757	2	120.7410	0.572	2	121.0007	2.147	23	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	121.1600	0.704	2	121.1600	0.496	2	121.0007	2.147	23	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8990	0.761	4	120.8990	0.579	4	121.0007	2.147	23	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9870	1.448	2	120.8992	5.912	4	120.8098	3.548	14	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8115	3.951	2	120.8992	5.912	4	120.8098	3.548	14	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,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>}	120.4445	3.914	2	120.4445	15.318	2	120.8098	3.548	14	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9078	1.254	6	120.8564	1.822	8	120.8098	3.548	14	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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|S<4>,2|C<4>,4|C<3>,5|H<1>}	120.7020	2.198	2	120.8564	1.822	8	120.8098	3.548	14	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,7|C<3>}	121.2860	1.884	4	121.2860	3.550	4	121.2860	3.550	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	121.5150	1.457	2	121.5150	2.122	2	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.5935	1.785	2	121.0958	2.396	10	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.2214	1.592	8	121.0958	2.396	10	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	121.4525	0.392	2	121.4525	0.154	2	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	120.9322	0.541	4	120.9322	0.292	4	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8540	0.693	2	121.0269	1.682	8	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.1305	2.036	2	121.0269	1.682	8	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.0615	1.534	4	121.0269	1.682	8	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,8|C<3>}	120.6760	1.372	2	120.6760	1.882	2	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	120.5335	0.148	2	120.5335	0.022	2	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	120.6990	1.843	2	120.9165	1.871	4	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	121.1340	1.424	2	120.9165	1.871	4	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	121.0425	0.211	2	121.0425	0.045	2	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){1|I<1>,1|N<2>,2|H<1>,6|C<3>}	120.9405	2.181	2	120.9405	4.759	2	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	120.5605	0.747	2	120.5605	0.559	2	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,5|H<1>,7|C<3>}	120.8280	0.833	4	120.9370	1.685	6	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	121.1550	2.490	2	120.9370	1.685	6	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.5495	1.372	2	120.5495	1.884	2	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,8|C<3>}	120.6145	0.517	2	120.6145	0.267	2	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	121.3500	3.323	2	121.3500	11.045	2	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8595	0.979	2	120.8595	0.959	2	120.9700	1.416	54	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Zr<13>,1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]C){2|C<3>,2|H<1>,3|C<4>}	119.2270	1.560	2	119.2270	2.433	2	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]B[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	122.1580	1.043	4	122.1580	1.087	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,7|H<1>}	121.0245	1.513	2	121.0195	1.126	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	121.0145	1.044	2	121.0195	1.126	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){4|C<3>,7|H<1>}	121.6685	0.400	4	121.6685	0.160	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]S[5]H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	120.7630	1.079	2	120.7630	1.164	2	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	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>}	120.5265	0.783	2	120.5265	0.613	2	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	120.7002	1.761	4	120.7002	3.101	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Zr<13>,1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]H){2|C<3>,2|C<4>,3|H<1>}	121.1547	1.736	4	121.1547	3.013	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9570	2.090	2	120.9570	4.369	2	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8817	0.816	4	120.8817	0.666	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.3375	1.311	4	120.3375	1.719	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	121.2698	0.650	4	121.2698	0.422	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8780	1.901	2	120.8780	3.613	2	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]H){3|H<1>,4|C<3>}	121.2600	0.557	4	121.2600	0.311	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9170	1.382	2	120.9170	1.909	2	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.6268	1.275	4	121.6268	1.625	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.6345	0.091	4	120.6345	0.008	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.7480	2.210	2	120.7480	4.886	2	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|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>}	121.2305	0.692	4	121.2305	0.479	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.7215	2.790	2	120.7422	2.902	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.7630	0.960	2	120.7422	2.902	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	120.5010	0.242	2	120.7953	2.043	10	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>,4|H<1>,5|C<3>}	120.7772	1.824	6	120.7953	2.043	10	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.1440	1.131	2	120.7953	2.043	10	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.2682	1.911	4	121.2682	3.653	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.6753	2.584	4	121.6753	6.675	4	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	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>}	120.2205	0.986	2	120.2205	0.973	2	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.7813	0.578	6	120.7813	0.335	6	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.5997	0.868	6	121.5997	0.754	6	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|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>}	120.9385	1.744	4	121.1098	1.728	12	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|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>}	121.0170	1.939	2	121.1098	1.728	12	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|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>}	121.2548	1.083	6	121.1098	1.728	12	121.0413	1.554	110	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|Zr<14>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	120.4675	0.531	2	120.2695	0.182	4	120.2695	0.182	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|Zr<14>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[6a]Si[5])(C[6a]C[6a]2)(N[5]C[5]Zr){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	120.0715	0.329	2	120.2695	0.182	4	120.2695	0.182	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:N[5]-3:C[6a]-3:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,5]C[5,5]C[5]Ru)(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|Ru<10>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]Ru)(N[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,4|C<3>,4|C<4>}	120.2480	4.367	2	120.2480	19.071	2	120.2480	19.071	2	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6a]-3:	C[6a](C[5]C[5,6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,6,6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|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>}	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,9|C<3>}	121.4455	1.040	2	121.4455	1.082	2	120.9668	1.147	6	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	121.1285	1.809	2	121.1285	3.274	2	120.9668	1.147	6	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	120.3265	0.216	2	120.3265	0.047	2	120.9668	1.147	6	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(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[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	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>}	120.2930	0.362	2	120.2930	0.131	2	120.4148	0.978	14	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.3095	0.023	2	120.3817	0.235	6	120.4148	0.978	14	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.3670	0.727	2	120.3817	0.235	6	120.4148	0.978	14	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.4685	0.788	2	120.3817	0.235	6	120.4148	0.978	14	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.5470	2.468	2	120.5470	6.090	2	120.4148	0.978	14	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	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[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.4592	1.321	4	120.4592	1.745	4	120.4148	0.978	14	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	117.6040	0.000	1	117.6040	0.000	1	117.3446	0.438	7	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	117.8350	0.082	3	117.6223	0.186	4	117.3446	0.438	7	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	116.9840	0.000	1	117.6223	0.186	4	117.3446	0.438	7	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	116.6595	0.870	2	116.6595	0.758	2	117.3446	0.438	7	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	120.8270	1.004	2	120.8270	1.008	2	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.0965	1.614	2	121.0965	2.606	2	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	120.7635	1.440	2	120.7635	2.075	2	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	121.4591	0.610	8	121.4591	0.372	8	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.6720	0.414	2	120.6720	0.172	2	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.5710	1.482	2	120.5710	2.197	2	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	121.7237	0.501	6	121.7237	0.251	6	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	121.2788	0.905	4	121.2788	0.819	4	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	120.8845	0.032	2	121.0968	6.213	4	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	121.3090	4.296	2	121.0968	6.213	4	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,7|C<3>}	120.9490	2.312	2	120.9490	5.346	2	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	121.0138	0.616	4	121.0138	0.380	4	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	121.0125	2.024	2	121.0125	4.098	2	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.7088	1.266	4	120.9452	2.431	16	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.2501	1.612	8	120.9452	2.431	16	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.5717	1.994	4	120.9452	2.431	16	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<3>,3|H<1>}	121.1577	2.310	6	121.1577	5.335	6	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.3492	1.685	4	121.2683	1.280	12	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.2279	0.888	8	121.2683	1.280	12	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.2125	0.797	4	120.4520	1.023	6	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	120.9310	1.588	2	120.4520	1.023	6	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[6,6a]C[5,6]C[6a])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]N[6,6a]C[5,6]C[6a])(C[5]C[6a]O[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	120.8692	1.642	4	120.8692	2.698	4	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	120.9067	1.500	4	120.9067	2.249	4	121.0734	1.715	88	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	118.0370	0.000	1	118.0370	0.000	1	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	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>}	120.6210	0.577	3	120.6210	0.333	3	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	121.3667	0.202	3	121.3667	0.041	3	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.0630	1.659	2	121.0630	2.752	2	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.0070	0.223	2	121.0070	0.050	2	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,5|C<3>}	121.0150	0.724	2	121.0150	0.524	2	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.4040	0.061	2	120.4040	0.004	2	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.7500	1.294	2	120.7500	1.674	2	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8865	0.103	2	120.8070	0.013	4	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.7275	0.066	2	120.8070	0.013	4	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.4273	0.120	4	120.4273	0.014	4	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.1040	0.512	2	120.1040	0.262	2	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8820	2.203	2	120.3767	3.326	6	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.1240	1.916	4	120.3767	3.326	6	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|P<4>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	120.5965	3.405	2	120.5965	11.592	2	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.1965	2.925	2	121.1965	8.557	2	120.6343	1.505	37	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	120.6620	0.000	1	120.6620	0.000	1	120.6620	0.000	1	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	120.7715	3.395	2	120.7715	11.525	2	120.6377	2.792	6	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){4|H<1>,6|C<3>}	120.5708	0.891	4	120.5708	0.794	4	120.6377	2.792	6	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.1730	2.673	4	121.1730	7.147	4	121.1730	7.147	4	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:S[5]-3:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5]H)(S[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[5](C[5]C[6a]B[5]H)(S[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,8|C<3>}	120.3280	0.365	2	120.3280	0.133	2	120.3280	0.133	2	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H)	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|Ge<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<2>,1|H<1>,2|C<3>}	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H){1|C<2>,1|H<1>,2|C<3>,4|C<4>}	121.0240	0.000	1	121.0240	0.000	1	121.0240	0.000	1	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]P[5,5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5,5]C[3,5,5]C[5,6a]Se)(C[5]C[3,5]H)(C[6a]C[6a]2)	C[6a](C[5]P[5,5]C[5])(C[6a]C[6a]H)2{1|Se<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5,5]C[3,5,5]C[5,6a]Se)(C[5]C[3,5]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	120.4190	0.634	2	120.4190	0.401	2	120.4190	0.401	2	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	117.5140	0.000	1	117.5140	0.000	1	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,8|C<3>}	119.5280	0.000	1	119.5280	0.000	1	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Cr)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cr<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|P<4>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Cr)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	118.7600	0.000	1	118.7600	0.000	1	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Hf)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Hf<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|P<4>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Hf)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	118.3380	0.000	1	118.3380	0.000	1	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Mo)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|P<4>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Mo)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	118.8255	1.091	2	118.8255	1.190	2	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Pt)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|P<4>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	120.7250	0.000	1	120.7250	0.000	1	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Rh)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<8>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|P<4>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Rh)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	120.5010	0.000	1	120.5010	0.000	1	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Ru)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|P<4>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Ru)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	120.3550	0.000	1	120.3550	0.000	1	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6]O)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]C[6]O)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	119.9015	1.361	2	119.9015	1.853	2	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cl)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	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>}	120.9100	1.277	2	120.9100	1.631	2	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.8833	0.972	4	120.8833	0.945	4	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.7130	0.912	8	120.7130	0.831	8	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.7385	1.326	8	120.7385	1.759	8	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|P<4>,2|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.0945	1.380	2	121.4167	1.944	8	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.6273	1.940	4	121.4167	1.944	8	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.3180	0.113	2	121.4167	1.944	8	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|W<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.7635	0.336	2	121.2927	0.441	4	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|W<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.8220	0.570	2	121.2927	0.441	4	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	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>}	120.8106	1.306	16	120.8106	1.706	16	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[6a]O[5]S)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[5](P[5]C[6a]O[5]S)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	120.5853	1.479	4	120.5853	2.187	4	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[6a]P[5]Os)(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Os<4>,1|P<3>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[6a]P[5]Os)(C[5]C[6a]P[5])(C[6a]C[6a]2){1|Os<4>,2|H<1>,8|C<3>}	121.0851	1.162	12	121.0851	1.351	12	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[6a]Se[5]Se)(C[5]Se[5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Se<1>,2|Se<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	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>}	120.1928	1.394	4	120.1928	1.944	4	120.6882	1.644	81	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	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>}	120.4627	1.774	8	120.4627	3.148	8	120.8964	1.390	38	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[5]Ru2)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{2|Ru<7>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	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>}	121.1665	0.262	2	121.1665	0.069	2	120.8964	1.390	38	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]H){2|H<1>,8|C<3>}	120.8522	2.181	4	120.8522	4.756	4	120.8964	1.390	38	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	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>}	120.7095	1.159	4	120.7095	1.343	4	120.8964	1.390	38	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[6a]C[5]Au)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Au<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	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>}	121.2790	0.402	8	121.2790	0.162	8	120.8964	1.390	38	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	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>}	120.9626	0.791	12	120.9626	0.626	12	120.8964	1.390	38	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	S[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	119.2330	0.000	1	119.2330	0.000	1	120.1303	1.728	3	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	S[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.5790	1.499	2	120.5790	2.247	2	120.1303	1.728	3	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5,6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5,6]C[5]O[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	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>}	121.1557	2.927	8	121.1557	8.565	8	121.1557	8.565	8	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Si<4>,2|C<3>,2|H<1>}	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>}	122.2050	0.000	1	122.2050	0.000	1	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.4755	1.168	6	121.4955	1.494	8	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.5555	1.906	2	121.4955	1.494	8	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Si<4>,1|H<1>,2|C<3>}	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|H<1>}	121.1225	2.995	2	121.1609	4.183	8	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<2>,1|H<1>,2|C<3>}	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|H<1>}	120.8385	1.559	2	121.1609	4.183	8	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|F<1>,1|H<1>,2|C<3>}	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|H<1>}	120.9755	1.281	2	121.1609	4.183	8	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|H<1>}	121.7070	3.920	2	121.1609	4.183	8	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.0490	0.252	2	121.0490	0.063	2	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	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>}	121.2645	2.374	4	121.2645	5.635	4	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	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>}	121.1002	2.373	4	121.1002	5.633	4	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	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>}	119.7650	0.000	1	121.1352	6.912	9	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<2>,1|H<1>,2|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>}	121.0355	0.056	2	121.1352	6.912	9	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<2>,1|H<1>,2|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>}	121.3770	1.932	2	121.1352	6.912	9	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	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>}	121.4068	4.052	4	121.1352	6.912	9	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	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>}	121.0890	2.195	4	121.0890	4.817	4	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	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>}	121.6770	2.860	4	121.4206	5.678	8	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	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>}	121.1643	2.212	4	121.4206	5.678	8	121.2698	3.940	48	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]C[5]CC)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5](Si[5]C[5]CC)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	121.0185	0.892	2	121.0185	0.795	2	121.7156	4.140	8	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	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>}	121.5880	2.523	2	121.9480	5.378	6	121.7156	4.140	8	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	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>}	122.3000	4.378	2	121.9480	5.378	6	121.7156	4.140	8	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	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>}	121.9560	0.919	2	121.9480	5.378	6	121.7156	4.140	8	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]O[6a]O)(H)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]O[6a]O)(H){1|C<4>,3|C<3>}	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>}	119.5410	0.000	1	119.5410	0.000	1	119.5410	0.000	1	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[5]C[5,6]2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5]C[5,6]2)(C[6a]C[6a]C){1|O<2>,2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	116.9680	0.000	1	116.9680	0.000	1	116.9680	0.000	1	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.0010	0.000	1	121.0010	0.000	1	121.0010	0.000	1	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,2|B<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	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>}	122.5005	0.940	2	122.5005	0.883	2	122.3062	0.629	10	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|B<3>,1|C<4>,1|H<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	122.0168	1.155	4	122.0168	1.334	4	122.3062	0.629	10	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F){1|C<4>,1|F<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|F<1>,4|C<3>}	122.4985	0.269	4	122.4985	0.072	4	122.3062	0.629	10	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F)	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){2|Si<4>,2|B<3>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	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>}	122.1790	2.622	2	122.1790	6.875	2	122.1790	6.875	2	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.2190	0.000	1	120.2190	0.000	1	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	118.7570	0.000	1	118.7570	0.000	1	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	119.4520	0.000	1	119.4520	0.000	1	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	118.4150	0.000	1	118.4150	0.000	1	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|S<4>,2|C<4>,6|C<3>}	117.6910	0.000	1	117.6910	0.000	1	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,9|C<3>}	121.0765	1.032	6	121.0765	1.066	6	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	121.3175	3.309	2	121.3175	10.947	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	120.7542	0.504	4	120.7542	0.254	4	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	121.3880	0.440	2	121.3252	0.446	8	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	121.3043	0.764	6	121.3252	0.446	8	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.6585	0.021	2	120.6585	0.000	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.2625	1.045	4	121.2118	0.838	6	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	121.1105	0.940	2	121.2118	0.838	6	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6]RuP)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Ru<7>,1|C<4>,1|P<5>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.0260	1.431	2	121.0260	2.048	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Br<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.9940	0.315	2	120.9940	0.099	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.8500	0.902	2	121.0870	0.555	4	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.3240	0.791	2	121.0870	0.555	4	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.3780	2.633	2	121.3780	6.934	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	121.7285	1.358	2	121.7285	1.845	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	120.9985	1.836	2	120.9985	3.372	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.5930	1.789	2	120.5930	3.200	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.0350	1.213	2	121.0350	1.472	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.9965	1.203	2	120.9965	1.447	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|I<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.2290	0.091	2	121.2290	0.008	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.1600	0.438	4	120.5828	0.546	6	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.4285	0.095	2	120.5828	0.546	6	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.3690	1.328	2	120.3690	1.763	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	121.8260	1.013	4	121.8260	1.026	4	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.7665	0.722	2	120.7665	0.521	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9535	4.577	2	120.9535	20.950	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|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>}	121.2555	0.795	2	121.2555	0.633	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.2035	0.917	2	121.2035	0.841	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,9|C<3>}	120.9930	1.065	2	120.9930	1.134	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,8|C<3>}	121.0215	1.197	2	121.2349	5.633	12	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,8|C<3>}	121.2776	2.591	10	121.2349	5.633	12	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.9282	2.140	10	120.9282	4.581	10	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.6925	2.275	2	120.6925	5.175	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|S<2>,3|H<1>,5|C<3>}	120.6150	0.853	2	120.6150	0.727	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.0468	0.965	8	121.0468	0.932	8	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9145	0.390	2	120.9568	0.721	14	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	120.7130	1.111	4	120.9568	0.721	14	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.0892	0.857	8	120.9568	0.721	14	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|S<2>,3|H<1>,4|C<3>}	120.8345	0.740	2	120.8345	0.548	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.9518	2.083	6	120.8701	3.124	8	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.6250	0.132	2	120.8701	3.124	8	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	121.0640	0.870	2	121.0640	0.756	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.7660	0.243	2	120.7660	0.059	2	120.9554	1.897	139	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	119.4660	0.007	2	119.4660	0.000	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	121.0300	0.489	2	121.0300	0.239	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.5175	0.549	2	120.5175	0.302	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,3|H<1>,4|C<3>}	121.0920	0.362	2	120.9637	0.406	6	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	120.8995	0.785	4	120.9637	0.406	6	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.6120	1.236	4	120.6120	1.529	4	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.0060	0.578	2	121.0060	0.335	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Pd<5>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	120.3115	1.484	2	120.3115	2.203	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,6|C<3>}	120.9665	1.784	2	121.0840	1.604	4	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,6|C<3>}	121.2015	1.255	2	121.0840	1.604	4	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Os<6>,3|H<1>,6|C<3>}	121.6945	0.185	2	121.6945	0.034	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.3610	2.209	2	121.3610	4.880	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	120.7815	1.736	2	120.7815	3.014	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<8>,2|H<1>,5|C<3>}	120.9700	1.591	2	120.9700	2.531	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|H<1>,5|C<3>}	121.0960	0.897	2	120.9862	1.343	8	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,5|H<1>}	120.8940	0.479	2	120.9862	1.343	8	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8455	2.794	2	120.9862	1.343	8	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|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>}	121.1095	0.670	2	120.9862	1.343	8	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	120.8040	0.300	2	120.5780	0.643	4	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.3520	1.278	2	120.5780	0.643	4	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8470	0.211	4	120.8470	0.044	4	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.8035	0.752	2	120.8035	0.565	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,6|C<3>}	121.2010	2.588	2	121.2010	6.698	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){4|C<3>,4|H<1>}	121.1470	1.561	2	120.9690	3.725	4	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	120.7910	2.934	2	120.9690	3.725	4	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.0155	0.838	2	121.0155	0.702	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	121.1485	1.053	2	121.1485	1.109	2	120.8774	1.100	60	120.9665	2.068	869	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	5:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,5]-5:C[6a]-3:N[5]-2:	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[5](B[5,5]N[5]O[5]2Mg)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]H)2{1|Mg<5>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|O<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|B<5>,1|C<3>,1|N<2>,2|H<1>}	C[5](B[5,5]N[5]O[5]2Mg)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	120.2420	0.000	1	120.2420	0.000	1	120.6065	0.266	2	120.6065	0.266	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	5:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,5]-5:C[6a]-3:N[5]-2:	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](B[5,5]N[5]O[5]2Mg)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]H)2{1|Mg<5>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|O<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|N<2>,2|H<1>}	C[5](B[5,5]N[5]O[5]2Mg)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	120.9710	0.000	1	120.9710	0.000	1	120.6065	0.266	2	120.6065	0.266	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	6:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[6a]-3:C[5]-3:	C[6a](C[5]C[5x3,6x5,20x6]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]P[5]P)	C[6a](C[5]C[5x3,6x5,20x6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<6>,2|H<1>,2|P<3>,4|B<6>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<6>,2|C<3>,2|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]P[5]P){1|N<3>,2|C<3>,5|B<6>,6|H<1>}	120.5555	0.708	2	120.5555	0.501	2	120.5555	0.501	2	120.5555	0.501	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	2:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	Se[5]-2:C[6a]-3:N[5]-2:	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	121.5310	0.000	1	121.5310	0.000	1	121.5310	0.000	1	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<2>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,1|O<2>,1|S<1>,3|C<3>}	120.3900	0.000	1	120.3900	0.000	1	121.7184	3.504	8	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.4420	0.000	1	122.4420	0.000	1	121.7184	3.504	8	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	123.2050	0.237	3	123.1608	0.045	4	121.7184	3.504	8	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	123.0280	0.000	1	123.1608	0.045	4	121.7184	3.504	8	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	118.6640	0.000	1	119.1360	0.446	2	121.7184	3.504	8	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	119.6080	0.000	1	119.1360	0.446	2	121.7184	3.504	8	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	119.7405	0.194	2	119.7405	0.038	2	119.7405	0.038	2	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,1|C<4>,2|C<3>,4|H<1>}	124.4850	0.000	1	124.4850	0.000	1	121.6652	3.351	5	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,2|C<4>,3|H<1>}	120.4500	0.928	2	120.9603	1.154	4	121.6652	3.351	5	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,5|H<1>}	121.4705	1.249	2	120.9603	1.154	4	121.6652	3.351	5	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.6676	0.637	5	118.6676	0.406	5	118.6676	0.406	5	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CN)	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5])2{1|C<2>,1|H<1>,2|C<3>}	124.8410	0.000	1	124.8410	0.000	1	124.8410	0.000	1	120.9665	4.348	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5])	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a])	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5]){2|H<1>,7|C<3>}	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,5|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>}	121.8080	0.000	1	121.8080	0.000	1	121.8080	0.000	1	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(OC){1|N<2>,1|N<3>,2|H<1>,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>}	122.9713	1.736	3	122.9713	3.014	3	122.6895	1.683	24	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	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>}	122.9280	0.000	1	122.9280	0.000	1	122.6895	1.683	24	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	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>}	124.3080	0.000	1	124.3080	0.000	1	122.6895	1.683	24	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	123.5445	0.344	2	123.5445	0.119	2	122.6895	1.683	24	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	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>}	121.1720	1.015	5	121.1720	1.029	5	122.6895	1.683	24	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])2(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])2(OC){2|H<1>,2|N<2>,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>}	122.9542	1.032	12	122.9542	1.065	12	122.6895	1.683	24	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	120.6790	2.000	2	120.6790	3.999	2	120.6790	3.999	2	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:S[5]-2:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OH)	C[5](C[6a]C[6a]2)(C[5]S[5]Br)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|Br<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OH){1|S<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]Br)(S[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.8160	0.000	1	120.8160	0.000	1	120.8160	0.000	1	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORh)	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]F)(C[6a]C[6a]O){1|Rh<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORh){1|C<3>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5]){1|F<1>,1|O<2>,3|C<3>,3|H<1>}	121.2060	0.000	1	121.2060	0.000	1	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OAl)	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<6>,1|C<2>,1|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OAl){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.7150	0.458	3	118.7150	0.210	3	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OAl)	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<6>,1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OAl){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	119.2720	0.158	2	119.2720	0.025	2	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.2620	0.000	1	120.2620	0.000	1	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(O[5]C[5]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	118.7220	0.000	1	118.7220	0.000	1	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	121.8000	0.000	1	121.8000	0.000	1	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.4210	1.581	5	122.6356	1.532	12	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	122.7889	1.038	7	122.6356	1.532	12	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	121.1204	0.579	5	121.1204	0.335	5	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.0330	0.168	2	119.9870	0.021	3	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5]){1|O<2>,3|C<3>,4|H<1>}	119.8950	0.000	1	119.9870	0.021	3	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.8020	0.000	1	118.8020	0.000	1	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OOs)	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Os<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OOs){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	122.5850	0.000	1	122.5850	0.000	1	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OPd)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OPd){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	121.4420	0.000	1	121.4420	0.000	1	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OPt)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OPt){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(O[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	120.7690	0.000	1	120.7690	0.000	1	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.6130	0.000	1	120.8321	1.568	20	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.2690	0.606	3	120.8321	1.568	20	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	120.9513	1.362	16	120.8321	1.568	20	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORu)	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORu){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.9372	0.794	5	120.9372	0.630	5	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OV)	C[5](C[6a]C[6a]2)(N[5]C[5]V)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|V<5>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OV){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]V)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.2680	0.000	1	120.2680	0.000	1	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.2913	0.249	4	122.1742	0.101	6	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	121.9400	0.395	2	122.1742	0.101	6	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(ORe)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(ORe){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.3230	0.000	1	119.3230	0.000	1	121.0823	2.064	66	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OBe)	C[5](C[6a]C[6a]2)(N[5]C[5]Be)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Be<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OBe){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Be)(S[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	119.0420	0.000	1	119.0420	0.000	1	121.4341	2.297	12	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(S[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	123.9320	0.000	1	123.9320	0.000	1	121.4341	2.297	12	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(S[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	122.4570	0.000	1	122.4570	0.000	1	121.4341	2.297	12	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(S[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	121.3379	1.312	8	121.3379	1.723	8	121.4341	2.297	12	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OV)	C[5](C[6a]C[6a]2)(N[5]N[5]V)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|V<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OV){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]V)(S[5]C[5]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	121.0750	0.000	1	121.0750	0.000	1	121.4341	2.297	12	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OAl)	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OAl){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	120.2037	0.165	4	120.2037	0.027	4	120.4389	1.666	19	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OBe)	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Be<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OBe){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	118.1180	0.041	2	118.1180	0.002	2	120.4389	1.666	19	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	122.8890	0.000	1	120.7110	3.696	3	120.4389	1.666	19	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<8>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	119.6220	0.526	2	120.7110	3.696	3	120.4389	1.666	19	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OOs)	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OOs){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	121.5755	0.745	2	121.2231	0.590	7	120.4389	1.666	19	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OOs)	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Os<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OOs){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	121.0822	0.812	5	121.2231	0.590	7	120.4389	1.666	19	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	119.4650	0.212	2	119.4650	0.045	2	120.4389	1.666	19	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORu)	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORu){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	121.6640	0.000	1	121.6640	0.000	1	120.4389	1.666	19	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(OZn)	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]O){1|Zn<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(OZn){1|C<3>,1|N<3>,1|S<2>,2|F<1>}	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|F<1>,1|O<2>,4|C<3>}	122.6612	0.510	4	122.6612	0.260	4	121.8538	2.671	27	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OAl)	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OAl){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	121.0585	0.175	2	121.0585	0.031	2	121.8538	2.671	27	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OZr)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OZr){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	125.4760	0.000	2	125.4760	0.000	2	121.8538	2.671	27	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OAl)	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OAl){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	120.6238	0.344	4	120.6238	0.118	4	121.8538	2.671	27	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OBe)	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Be<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OBe){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	119.6765	0.467	2	119.6765	0.218	2	121.8538	2.671	27	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	121.2740	0.000	1	121.2740	0.000	1	121.8538	2.671	27	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi)	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	122.1530	0.000	1	122.1530	0.000	1	121.8538	2.671	27	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	121.2131	0.724	7	121.2131	0.525	7	121.8538	2.671	27	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn)	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	124.4460	0.000	1	122.5697	2.684	3	121.8538	2.671	27	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn)	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	121.6315	0.293	2	122.5697	2.684	3	121.8538	2.671	27	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a]){1|O<2>,4|C<3>}	124.8630	0.000	1	124.8630	0.000	1	121.8538	2.671	27	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a])	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	123.7160	0.301	2	123.7160	0.091	2	123.7160	0.091	2	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OAl)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Al)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]O){1|Al<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OAl){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Al)(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.4357	0.498	3	116.4357	0.248	3	116.4357	0.248	3	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[6a]C[6a,6a]Pt)(C[5]N[5]S[5])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC)	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[6a]C[6a,6a]Pt)(C[5]N[5]S[5])(C[6a]C[6a]O){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC){1|Pt<4>,1|N<3>,1|S<2>,4|C<3>}	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a]){1|O<2>,4|C<3>}	123.3957	1.058	3	123.3957	1.119	3	123.3957	1.119	3	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	120.2965	0.673	4	120.7698	1.459	5	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	122.6630	0.000	1	120.7698	1.459	5	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCr)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCr){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	122.5120	0.268	3	122.5120	0.072	3	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	119.7350	0.395	2	119.7350	0.156	2	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	119.2530	0.000	1	119.2530	0.000	1	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,1|H<1>,1|O<2>,3|C<3>}	121.0015	0.706	2	120.8017	0.369	4	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5]){1|Mn<8>,1|H<1>,1|O<2>,3|C<3>}	120.6020	0.670	2	120.8017	0.369	4	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]){1|H<1>,1|O<2>,4|C<3>}	120.4400	0.000	1	120.6910	0.126	2	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]){1|O<2>,2|H<1>,3|C<3>}	120.9420	0.000	1	120.6910	0.126	2	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(N[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	120.0460	0.000	1	120.0460	0.000	1	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	123.7050	0.383	2	123.7050	0.147	2	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	119.4710	0.000	1	119.4710	0.000	1	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]O)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5])	C[6a](C[6a]C[6a]O)2(C[5]N[5]2){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]){1|C<4>,2|C<3>,2|O<2>}	120.0295	2.071	4	120.0295	4.289	4	120.8697	2.306	25	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	124.0630	0.000	1	124.0630	0.000	1	120.7666	7.193	5	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	123.2960	0.000	1	123.2960	0.000	1	120.7666	7.193	5	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<2>,1|S<1>,2|H<1>,4|C<3>}	118.9275	0.360	2	118.9275	0.130	2	120.7666	7.193	5	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	118.6190	0.000	1	118.6190	0.000	1	120.7666	7.193	5	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	N[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OCd)	C[5](C[6a]C[6a]2)(N[5]N[5]Cd)(N[5]N[5])	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]H)(C[5]N[5]2){1|Cd<6>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OCd){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cd)(N[5]N[5]){1|Cd<6>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	121.5530	0.000	1	121.5530	0.000	1	121.5530	0.000	1	121.3069	2.967	191	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,5|C<3>}	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|I<1>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S){1|N<2>,2|C<3>,5|H<1>}	122.4140	0.000	1	122.4140	0.000	1	122.4140	0.000	1	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	As[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|As<3>,2|C<3>,2|H<1>}	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>}	123.2630	0.000	2	123.2630	0.000	2	123.2630	0.000	2	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	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>}	121.7680	0.000	1	121.7680	0.000	1	121.7680	0.000	1	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|O<2>,7|C<3>}	120.8465	3.334	2	120.8465	11.116	2	120.8465	11.116	2	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OTi)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OTi){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	123.0095	0.211	2	122.9950	0.023	3	122.1227	0.751	8	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OTi)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OTi){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,4|H<1>}	122.9660	0.000	1	122.9950	0.023	3	122.1227	0.751	8	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OTi)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OTi){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,4|C<3>,4|H<1>}	122.2230	0.000	1	122.2230	0.000	1	122.1227	0.751	8	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]O)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	121.4435	0.597	4	121.4435	0.357	4	122.1227	0.751	8	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|H<1>,1|O<2>,3|C<3>}	119.6870	0.000	1	119.6870	0.000	1	121.9366	3.845	17	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OMo)	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<5>,1|C<3>,1|N<2>,1|N<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OMo){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5]C){1|H<1>,1|O<2>,3|C<3>}	118.6360	0.000	1	118.6360	0.000	1	121.9366	3.845	17	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	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>}	122.2575	1.305	2	122.1683	4.180	10	121.9366	3.845	17	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	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>}	120.5055	1.484	2	122.1683	4.180	10	121.9366	3.845	17	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	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>}	122.4652	2.589	4	122.1683	4.180	10	121.9366	3.845	17	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	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>}	123.1480	2.407	2	122.1683	4.180	10	121.9366	3.845	17	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	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>}	121.7030	1.379	2	121.7030	1.901	2	121.9366	3.845	17	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.4000	0.000	1	123.4000	0.000	1	121.9366	3.845	17	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	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>}	122.4390	0.000	1	123.0550	0.759	2	121.9366	3.845	17	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	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>}	123.6710	0.000	1	123.0550	0.759	2	121.9366	3.845	17	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	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>}	122.3565	0.671	2	121.8975	0.437	4	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	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>}	121.4385	0.129	2	121.8975	0.437	4	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	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>}	120.3305	1.147	4	120.3305	1.317	4	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	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>}	119.9250	2.780	2	119.9250	7.730	2	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu){1|N<3>,2|C<3>,2|H<1>}	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>}	122.1720	0.000	1	122.1720	0.000	1	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OFe)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OFe){1|N<3>,2|C<3>,2|H<1>}	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>}	122.7167	0.243	6	122.5144	0.183	8	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OFe)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OFe){1|N<3>,2|C<3>,2|H<1>}	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>}	121.9220	0.000	1	122.5144	0.183	8	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OFe)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OFe){1|N<3>,2|C<3>,2|H<1>}	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>}	121.8930	0.000	1	122.5144	0.183	8	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	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>}	121.1463	0.241	4	121.8015	0.575	21	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	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>}	121.4480	0.000	1	121.8015	0.575	21	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	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>}	122.0765	0.230	2	121.8015	0.575	21	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	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>}	122.0540	0.457	3	121.8015	0.575	21	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	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>}	122.3498	0.961	6	121.8015	0.575	21	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	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>}	121.3970	0.000	1	121.8015	0.575	21	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	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>}	121.1435	0.890	2	121.8015	0.575	21	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	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>}	121.3830	0.000	1	121.8015	0.575	21	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	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>}	122.3180	0.000	1	121.8015	0.575	21	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi){1|N<3>,2|C<3>,2|H<1>}	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>}	123.7830	0.734	2	123.7830	0.539	2	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP){1|N<3>,2|C<3>,2|H<1>}	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>}	124.4280	0.000	1	124.4280	0.000	1	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe){1|N<3>,2|C<3>,2|H<1>}	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>}	121.2880	0.000	1	122.1212	1.067	9	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe){1|N<3>,2|C<3>,2|H<1>}	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>}	122.2836	0.810	5	122.1212	1.067	9	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe){1|N<3>,2|C<3>,2|H<1>}	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>}	122.1283	1.594	3	122.1212	1.067	9	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORu)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORu){1|N<3>,2|C<3>,2|H<1>}	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>}	123.2600	0.000	1	123.2600	0.000	1	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OSb)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Sb<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OSb){1|N<3>,2|C<3>,2|H<1>}	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>}	123.2272	0.254	4	122.4715	0.715	8	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OSb)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Sb<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OSb){1|N<3>,2|C<3>,2|H<1>}	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>}	121.7157	0.282	4	122.4715	0.715	8	122.0164	1.306	61	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OFe)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Fe)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,2|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OFe){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Fe){1|O<2>,2|H<1>,5|C<3>}	117.9550	0.000	1	117.9550	0.000	1	118.8947	0.753	3	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5,6]-3:C[6a]-3:N[5]-3:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Co)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Co<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]Co){1|O<2>,2|H<1>,5|C<3>}	119.3645	0.426	2	119.3645	0.182	2	118.8947	0.753	3	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	119.8640	0.000	1	119.8640	0.000	1	120.2395	0.282	2	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	120.6150	0.000	1	120.6150	0.000	1	120.2395	0.282	2	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](C[6a]C[6a,6a]C[6a])(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]O){1|Re<6>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(ORe){1|H<1>,1|N<3>,3|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>}	119.1390	0.000	1	119.1390	0.000	1	119.1390	0.000	1	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Ir)(N[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[5]N[5]2){1|Ir<6>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OIr){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Ir)(N[5]C[5]H){1|O<2>,5|C<3>}	117.4890	1.187	2	117.4890	1.408	2	117.4890	1.408	2	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(ORe)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(ORe){1|N<3>,2|H<1>,4|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>}	121.2490	0.000	1	121.2490	0.000	1	121.9831	0.359	15	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OSb)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Sb<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OSb){1|N<3>,2|H<1>,4|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>}	121.9718	0.609	12	122.0355	0.342	14	121.9831	0.359	15	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OSb)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Sb<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OSb){1|N<3>,2|H<1>,4|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>}	122.4175	0.179	2	122.0355	0.342	14	121.9831	0.359	15	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6]-3:N[6a]-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6]C[6]N[6])(N[6a]C[6a])	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pt<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	121.3080	0.000	1	121.3080	0.000	1	121.3080	0.000	1	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5])	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]){2|H<1>,3|C<3>}	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>}	119.9650	0.000	1	119.9650	0.000	2	119.9650	0.000	2	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5])	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]){2|H<1>,3|C<3>}	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>}	119.9650	0.000	1	119.9650	0.000	2	119.9650	0.000	2	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	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>}	122.3560	0.000	1	122.3560	0.000	1	122.3560	0.000	1	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	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>}	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OCu)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OCu){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	120.2960	0.275	3	120.2960	0.075	3	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	119.4285	1.801	2	120.0945	1.787	4	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	120.7605	0.586	2	120.0945	1.787	4	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Co<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	122.5255	0.373	2	122.7394	0.439	8	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	123.2400	0.792	2	122.7394	0.439	8	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	122.9245	0.706	2	122.7394	0.439	8	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	122.2675	0.838	2	122.7394	0.439	8	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(N[5]C[5]O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	120.7870	1.703	2	120.7870	2.899	2	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCr)	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cr<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCr){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	120.8060	0.000	1	120.8060	0.000	1	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCr)	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cr<6>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCr){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(N[5]C[5]O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	118.4806	0.343	8	118.4806	0.118	8	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCr)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCr){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	122.3720	0.000	1	122.3720	0.000	1	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	120.7790	0.000	1	120.7790	0.000	1	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	120.2280	0.000	1	120.9145	0.943	2	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ir<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	121.6010	0.000	1	120.9145	0.943	2	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]H){1|H<1>,1|O<2>,3|C<3>}	120.4390	0.000	1	120.4390	0.000	1	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{1|O<2>,2|C<3>,3|H<1>}	122.8690	0.000	1	122.8690	0.000	1	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OPt)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OPt){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	120.1500	0.000	1	120.1500	0.000	1	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORu)	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ru<6>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORu){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	122.6645	0.355	4	122.6645	0.126	4	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	123.3255	0.490	2	123.1800	0.196	6	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.5020	0.222	2	123.1800	0.196	6	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]H){1|H<1>,1|O<2>,4|C<3>}	122.7125	0.059	2	123.1800	0.196	6	121.1996	3.306	43	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ir<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OIr){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Ir){1|H<1>,1|O<2>,6|C<3>}	119.5490	0.000	1	119.5490	0.000	1	118.7495	1.328	4	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Mo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMo){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Mo){1|H<1>,1|O<2>,5|C<3>}	118.5560	0.000	1	118.5560	0.000	1	118.7495	1.328	4	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(OCo)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C[5])2(OCo){1|C<3>,2|H<1>,4|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Co){1|H<1>,1|O<2>,6|C<3>}	119.6960	0.000	1	119.6960	0.000	1	118.7495	1.328	4	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])2(OCo)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])2(OCo){1|C<3>,2|H<1>,4|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|H<1>,1|O<2>,6|C<3>}	117.1970	0.000	1	117.1970	0.000	1	118.7495	1.328	4	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(OMo)	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(OMo){1|C<3>,1|C<4>,2|N<3>}	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>}	117.9950	0.000	1	117.9950	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(ONi)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ni<4>,2|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(ONi){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	121.6750	0.000	1	121.6750	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OCu)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OCu){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.2490	0.519	2	120.2490	0.269	2	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OZn)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.6560	0.000	1	120.6560	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OZn)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	121.6738	1.059	5	121.6738	1.122	5	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OBe)	C[5](N[5]C[5,6a]Be)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Be<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OBe){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Be)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	118.6460	0.000	1	118.6460	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Br<1>,1|Co<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	122.4977	0.187	4	122.3772	0.079	6	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	122.1360	0.342	2	122.3772	0.079	6	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCu){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	121.2250	0.000	1	121.2250	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OFe)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Fe<5>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OFe){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.7870	0.000	1	120.7870	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	122.3580	0.000	1	122.3580	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.9265	0.480	2	119.9265	0.231	2	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	121.2640	0.000	1	121.2640	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.3080	0.000	1	120.3080	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ni<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.8970	0.000	1	120.8970	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OPt)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OPt){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	122.1450	0.000	1	122.1450	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Re)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Re<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Re)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	118.4890	0.632	2	118.4890	0.400	2	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe)	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.4020	0.000	1	119.4020	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.9760	0.000	1	120.9760	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	122.3750	0.000	1	122.3750	0.000	1	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	121.3750	0.310	2	121.3750	0.096	2	121.0127	1.852	33	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:S-2:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<2>,4|C<3>,5|H<1>}	120.9680	0.000	1	120.9680	0.000	1	120.9680	0.000	1	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:S-2:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SS)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SS){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	121.8055	0.579	2	121.8055	0.335	2	121.8055	0.335	2	121.4596	2.501	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	120.2965	1.333	2	120.2965	1.777	2	120.2965	1.777	2	120.2965	1.777	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.4520	0.000	1	120.4520	0.000	1	121.8659	1.271	17	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	123.1195	0.177	2	123.1195	0.032	2	121.8659	1.271	17	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	123.0160	0.000	1	122.4080	0.574	4	121.8659	1.271	17	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	123.0960	0.000	1	122.4080	0.574	4	121.8659	1.271	17	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	121.7600	0.198	2	122.4080	0.574	4	121.8659	1.271	17	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){2|H<1>,2|O<2>,3|C<3>}	122.3627	0.349	3	122.5214	0.134	5	121.8659	1.271	17	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){2|H<1>,2|O<2>,3|C<3>}	122.9870	0.000	1	122.5214	0.134	5	121.8659	1.271	17	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,2|O<2>,4|C<3>}	122.5320	0.000	1	122.5214	0.134	5	121.8659	1.271	17	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){2|H<1>,2|O<2>,3|C<3>}	120.3030	0.255	3	120.5580	0.258	5	121.8659	1.271	17	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){2|H<1>,2|O<2>,3|C<3>}	120.4860	0.000	1	120.5580	0.258	5	121.8659	1.271	17	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,2|O<2>,4|C<3>}	121.3950	0.000	1	120.5580	0.258	5	121.8659	1.271	17	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	124.7400	0.000	1	124.7400	0.000	1	123.0415	5.770	2	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]O[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	121.3430	0.000	1	121.3430	0.000	1	123.0415	5.770	2	121.9896	1.588	19	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N-2:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a]){1|C<4>,2|N<3>,2|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H){1|N<2>,1|O<1>,2|N<3>,4|H<1>}	122.4920	0.000	1	122.4920	0.000	1	122.4920	0.000	1	121.5370	0.758	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	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>}	121.3320	0.000	1	121.3320	0.000	1	121.0595	0.149	2	121.5370	0.758	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	120.7870	0.000	1	120.7870	0.000	1	121.0595	0.149	2	121.5370	0.758	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|O<2>,2|C<3>,5|H<1>}	117.8820	0.000	1	117.8820	0.000	1	117.8820	0.000	1	117.8820	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OC)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]O)2{2|Cl<1>,1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]O[5]){2|O<2>,8|C<3>}	119.6890	0.027	2	119.6890	0.001	2	119.6890	0.001	2	119.3836	1.099	5	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|H<1>,3|O<2>,4|C<3>}	119.3880	0.000	1	118.5230	1.496	2	118.5230	1.496	2	119.3836	1.099	5	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	117.6580	0.000	1	118.5230	1.496	2	118.5230	1.496	2	119.3836	1.099	5	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	119.3836	1.099	5	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	Ge[5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC)	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H)	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|Ge<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC){1|Ge<4>,2|C<3>,2|H<1>}	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H){1|C<2>,1|H<1>,2|C<3>,4|C<4>}	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	122.1543	2.086	9	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.1390	0.000	1	122.8940	1.140	2	122.8940	1.140	2	122.1543	2.086	9	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	123.6490	0.000	1	122.8940	1.140	2	122.8940	1.140	2	122.1543	2.086	9	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NN)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NN){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	124.0100	0.000	1	124.0100	0.000	1	124.0100	0.000	1	122.1543	2.086	9	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	124.1530	0.000	1	124.1530	0.000	1	124.1530	0.000	1	122.1543	2.086	9	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]O)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	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>}	121.2570	0.273	2	121.3317	0.044	4	121.3317	0.044	4	122.1543	2.086	9	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]O)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	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>}	121.4065	0.185	2	121.3317	0.044	4	121.3317	0.044	4	122.1543	2.086	9	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CC[6a]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CC[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>,3|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	121.4390	0.000	1	121.7943	0.319	3	121.4657	0.645	4	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	121.9720	0.670	2	121.7943	0.319	3	121.4657	0.645	4	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<2>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,1|O<2>,1|S<1>,3|C<3>}	120.4800	0.000	1	120.4800	0.000	1	121.4657	0.645	4	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(NHS)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(NHS){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	120.7060	0.000	1	120.7060	0.000	1	122.0273	0.481	39	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.9673	0.525	3	122.4026	0.182	20	122.0273	0.481	39	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	122.4794	0.374	17	122.4026	0.182	20	122.0273	0.481	39	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.5925	0.610	8	121.6051	0.390	17	122.0273	0.481	39	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	121.9928	0.464	4	121.6051	0.390	17	122.0273	0.481	39	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	121.3152	0.701	5	121.6051	0.390	17	122.0273	0.481	39	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.0210	0.000	1	123.0210	0.000	1	122.0273	0.481	39	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	122.5595	0.093	2	122.5595	0.009	2	122.5595	0.009	2	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]Se)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]Se){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]2){1|Se<1>,1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<1>,2|C<4>,2|H<1>,3|C<3>}	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]O[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]O[5]){1|H<1>,1|O<1>,3|C<3>}	123.3860	0.000	1	123.3860	0.000	1	123.3860	0.000	1	122.1203	0.836	48	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCuC)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCuC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	122.8950	0.000	1	123.1590	0.139	2	123.1590	0.139	2	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCuC)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCuC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){4|C<3>,4|H<1>}	123.4230	0.000	1	123.1590	0.139	2	123.1590	0.139	2	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|H<1>,5|C<3>}	120.1785	0.387	2	120.1785	0.150	2	120.1785	0.150	2	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ni<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,1|P<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	122.4680	0.000	1	122.4680	0.000	1	121.3637	0.706	9	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Fe<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,2|N<3>,2|O<2>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	121.2256	0.782	8	121.2256	0.611	8	121.3637	0.706	9	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ir<6>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){5|C<3>}	126.7365	0.088	2	126.7365	0.008	2	126.7365	0.008	2	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,3|C<3>,4|H<1>}	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,5|C<3>}	123.0520	0.602	2	123.0520	0.363	2	123.0520	0.363	2	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	122.1970	0.000	1	122.1970	0.000	1	122.1970	0.000	1	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	122.6960	0.000	1	122.6960	0.000	1	122.6960	0.000	1	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	122.3770	0.000	1	122.3770	0.000	1	122.2645	0.025	2	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|I<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	122.1520	0.000	1	122.1520	0.000	1	122.2645	0.025	2	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Fe)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Fe){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	122.9660	1.629	2	122.6457	1.982	6	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Fe)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Fe){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.8720	0.000	1	122.6457	1.982	6	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Fe)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Fe){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	121.7060	0.000	1	122.6457	1.982	6	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Fe)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Fe){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	123.6820	0.935	2	122.6457	1.982	6	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.4800	0.000	1	122.7945	0.198	2	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	123.1090	0.000	1	122.7945	0.198	2	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Mg)	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Mg<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Mg){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	123.2327	0.330	8	123.2327	0.109	8	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Ni)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Ni){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.8409	0.787	9	119.7082	0.486	13	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Ni)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Ni){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	119.4098	0.349	4	119.7082	0.486	13	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Pd)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Pd){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.9142	0.677	6	121.6834	0.494	11	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Pd)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Pd){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	121.9180	0.000	1	121.6834	0.494	11	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Pd)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Pd){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	121.2785	0.733	4	121.6834	0.494	11	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Zn)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Zn){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.1575	0.334	2	123.1280	0.595	5	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Zn)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Zn){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	123.0670	0.000	1	123.1280	0.595	5	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Zn)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Zn){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.0650	0.000	1	123.1280	0.595	5	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Zn)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Zn){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	124.1930	0.000	1	123.1280	0.595	5	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCuC)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCuC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.6090	0.677	2	122.6090	0.459	2	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NMgC)	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Mg<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NMgC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	123.3555	0.319	2	123.4357	0.052	4	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NMgC)	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Mg<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NMgC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	123.5160	0.171	2	123.4357	0.052	4	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NNiC)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NNiC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.9975	0.301	2	122.9975	0.090	2	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NPdC)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NPdC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	123.4243	1.875	3	123.4243	3.515	3	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NZnC)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NZnC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.9265	0.093	2	123.2082	0.592	16	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NZnC)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NZnC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	123.7042	0.643	6	123.2082	0.592	16	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NZnC)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NZnC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.9066	0.797	8	123.2082	0.592	16	122.2812	2.353	72	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Cu)	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Cu){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	121.9330	0.000	1	121.9330	0.000	1	122.1497	0.305	4	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Ni)	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Ni){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	121.8775	0.374	2	121.8775	0.140	2	122.1497	0.305	4	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Pd)	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Pd){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	122.9110	0.000	1	122.9110	0.000	1	122.1497	0.305	4	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn2)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OMn2){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(O[5]C[5]){1|Mn<6>,1|H<1>,1|N<2>,1|O<3>,2|C<3>}	120.6772	0.401	6	120.6772	0.161	6	120.6772	0.161	6	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe2)	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ORe2){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	120.6070	2.096	2	120.6070	4.393	2	121.7755	3.317	4	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn2)	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OZn2){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	122.9440	0.311	2	122.9440	0.097	2	121.7755	3.317	4	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(PC[6a]2)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]C[5]){1|P<3>,2|H<1>,5|C<3>}	120.8350	0.667	4	120.8350	0.445	4	120.8350	0.445	4	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-3:O[5]-2:	C[6a](C[6a]C[6,6a]C)(C[5]C[5]O[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[6a]C[6,6a]C)(C[5]C[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(COO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	121.7520	0.000	1	121.7520	0.000	1	121.7520	0.000	1	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|Pd<5>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|N<3>,1|O<2>,1|P<4>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	119.4000	0.000	1	119.4000	0.000	1	119.4000	0.000	1	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[6a]C[6a,6a]N[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[6a]C[6a,6a]N[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]C[5]){1|Pd<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	123.8360	0.000	1	123.8360	0.000	1	123.8360	0.000	1	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|N<2>,1|N<3>,1|P<3>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5]){3|H<1>,5|C<3>}	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.9570	0.000	1	121.9570	0.000	1	121.9570	0.000	1	122.0868	2.450	117	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	124.0680	0.000	1	124.0680	0.000	1	124.0680	0.000	1	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,1|H<1>,3|C<3>}	122.0640	0.426	2	122.0640	0.181	2	122.0640	0.181	2	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	122.3400	0.000	1	122.3400	0.000	1	122.3400	0.000	1	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]Ni)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]Ni){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.7783	1.368	6	122.7783	1.871	6	123.2054	2.235	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]Zn)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]Zn){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.5500	2.069	2	123.3068	3.486	4	123.2054	2.235	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]Zn)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[5]Zn){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H){1|H<1>,1|N<3>,3|C<3>}	123.0635	2.437	2	123.3068	3.486	4	123.2054	2.235	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Cu)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Cu){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.0920	0.000	1	124.2840	1.306	2	123.2054	2.235	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Cu)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]Cu){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,1|N<3>,3|C<3>}	123.4760	0.000	1	124.2840	1.306	2	123.2054	2.235	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2){1|N<3>,2|C<3>,2|H<1>}	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>}	123.3850	0.000	1	123.8524	0.813	5	123.8524	0.813	5	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(ONi2){1|N<3>,2|C<3>,2|H<1>}	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>}	123.9693	0.997	4	123.8524	0.813	5	123.8524	0.813	5	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SCuC)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Cu<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SCuC){1|N<3>,2|C<3>,2|H<1>}	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>}	124.4435	0.036	2	124.4435	0.001	2	124.4435	0.001	2	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]S)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(SCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]S){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(SCO){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){1|S<3>,3|H<1>,5|C<3>}	121.7020	0.000	1	121.7020	0.000	1	121.7020	0.000	1	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|F<1>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|F<1>,2|C<3>,2|H<1>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	124.3890	0.000	1	125.2675	0.636	4	125.2675	0.636	4	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|F<1>,2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|F<1>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|Cu<4>,1|C<4>,1|H<1>,3|C<3>}	124.8190	0.000	1	125.2675	0.636	4	125.2675	0.636	4	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,2|C<3>,3|H<1>,3|N<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	125.7680	0.000	1	125.2675	0.636	4	125.2675	0.636	4	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,2|C<3>,3|H<1>,3|N<3>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|Cu<4>,1|C<4>,1|H<1>,3|C<3>}	126.0940	0.000	1	125.2675	0.636	4	125.2675	0.636	4	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]S)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|Pd<4>,1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|P<4>,2|H<1>,2|N<3>,6|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]S){3|H<1>,5|C<3>}	117.4770	0.000	1	117.4770	0.000	1	117.4770	0.000	1	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	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>}	125.1180	0.000	1	125.1180	0.000	1	125.1180	0.000	1	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,3|C<3>,4|C<4>}	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|Cd<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	123.6040	0.000	1	123.6040	0.000	1	123.8370	0.109	2	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	124.0700	0.000	1	124.0700	0.000	1	123.8370	0.109	2	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){4|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{3|C<3>,3|H<1>}	122.5040	1.759	2	122.5040	3.095	2	122.5040	3.095	2	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2){1|Zn<4>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2){1|Zn<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	126.6020	0.260	2	126.6020	0.068	2	126.6020	0.068	2	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	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>}	121.4308	0.268	4	121.4308	0.072	4	120.9060	0.810	8	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]2)2(C[5]C[5]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H){8|C<3>}	120.3812	1.041	4	120.3812	1.083	4	120.9060	0.810	8	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2){1|Cu<3>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<3>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	119.6360	1.489	2	119.8515	0.921	8	119.8515	0.921	8	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2){1|Cu<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<3>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	119.9233	0.906	6	119.8515	0.921	8	119.8515	0.921	8	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCoC)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCoC){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.1920	0.000	1	122.1920	0.000	1	122.1920	0.000	1	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	121.6960	0.000	1	121.6960	0.000	1	120.4513	4.551	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCuC)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCuC){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	119.5980	0.000	1	119.5980	0.000	1	120.4513	4.551	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCuC)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCuC){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	122.4853	0.327	3	122.4853	0.107	3	120.4513	4.551	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	122.3040	0.000	1	122.3040	0.000	1	120.4513	4.551	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NMnC)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Mn<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NMnC){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	121.4800	0.509	2	121.4800	0.259	2	120.4513	4.551	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NNiC)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Ni<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NNiC){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	117.8570	1.513	2	117.8570	2.290	2	120.4513	4.551	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(NNiC)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Ni<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(NNiC){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	117.8440	0.072	2	117.8440	0.005	2	120.4513	4.551	12	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|N<3>,1|O<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo2){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<3>,2|C<3>,4|C<4>}	121.8180	0.000	1	121.3010	0.535	2	121.3010	0.535	2	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo2)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OCo2){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]O){1|H<1>,1|O<3>,2|C<3>,3|C<4>}	120.7840	0.000	1	121.3010	0.535	2	121.3010	0.535	2	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:S-3:	N[5]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]O){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<3>,4|C<3>,5|H<1>}	121.4730	0.000	1	121.4730	0.000	1	121.4730	0.000	1	122.1468	5.066	69	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	124.2280	0.000	1	124.2280	0.000	1	124.2280	0.000	1	121.4810	3.742	4	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|N<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	120.5653	0.763	3	120.5653	0.582	3	120.5653	0.582	3	121.4810	3.742	4	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|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>,5|C<3>}	118.8730	0.000	1	118.8730	0.000	1	123.3397	16.807	3	124.0570	8.299	6	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){3|C<3>,5|H<1>}	125.5730	1.921	2	125.5730	3.688	2	123.3397	16.807	3	124.0570	8.299	6	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	123.1530	0.000	1	123.1530	0.000	1	124.7743	2.395	3	124.0570	8.299	6	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	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>}	125.5850	0.921	2	125.5850	0.848	2	124.7743	2.395	3	124.0570	8.299	6	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[3,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,3|C<3>,6|H<1>}	122.6760	0.000	1	122.6760	0.000	1	122.6760	0.000	1	122.8310	0.048	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	122.9860	0.000	1	122.9860	0.000	1	122.9860	0.000	1	122.8310	0.048	2	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	125.0890	0.000	1	125.0890	0.000	1	123.2600	0.988	7	122.3884	2.031	16	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	122.2960	0.000	1	122.2960	0.000	1	123.2600	0.988	7	122.3884	2.031	16	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	122.8760	0.327	3	123.0870	0.375	5	123.2600	0.988	7	122.3884	2.031	16	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	123.4035	0.977	2	123.0870	0.375	5	123.2600	0.988	7	122.3884	2.031	16	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,4|C<3>,4|H<1>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	123.4460	0.000	1	123.4460	0.000	1	123.4460	0.000	1	122.3884	2.031	16	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	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[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,2|H<1>}	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>}	120.3855	0.425	2	120.3855	0.181	2	120.3855	0.181	2	122.3884	2.031	16	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	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>}	121.0060	0.930	3	121.0060	0.865	3	121.0060	0.865	3	122.3884	2.031	16	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,8|C<3>}	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	122.3884	2.031	16	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[5]C[5,6]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(CCO)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5]C[5,6]2)(C[6a]C[6a]C){1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	122.8920	0.000	1	122.8920	0.000	1	122.8920	0.000	1	122.3884	2.031	16	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	123.6500	0.000	1	123.6500	0.000	1	123.6500	0.000	1	122.3884	2.031	16	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]2O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	123.9170	0.571	2	123.9170	0.326	2	122.1306	2.834	5	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CSnHH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CSnHH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	121.1710	0.225	2	121.1710	0.051	2	122.1306	2.834	5	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	120.4770	0.000	1	120.4770	0.000	1	122.1306	2.834	5	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-2:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5]){1|C<4>,1|H<1>,3|C<3>}	121.8600	0.000	1	121.8600	0.000	1	121.8600	0.000	1	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O[5]-2:P[5]-2:	C[6a](C[5]O[5]P[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(O[5]P[5])(P[5]C[5])	C[6a](C[5]O[5]P[5])(C[6a]C[6a]C)2{1|P<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,1|P<2>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]P[5])(P[5]C[5]){1|O<2>,2|C<3>,2|C<4>}	119.5425	0.887	2	119.5425	0.788	2	119.5425	0.788	2	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[5]-2:S[5]-2:	C[6a](C[5]P[5]S[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(P[5]C[5])(S[5]P[5])	C[6a](C[5]P[5]S[5])(C[6a]C[6a]C)2{1|P<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<2>,1|S<2>,2|C<4>}	C[5](C[6a]C[6a]2)(P[5]C[5])(S[5]P[5]){1|O<2>,2|C<3>,2|C<4>}	119.4590	0.925	2	119.4590	0.855	2	119.4590	0.855	2	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	123.7300	0.000	1	123.7300	0.000	1	122.1990	4.688	2	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	120.6680	0.000	1	120.6680	0.000	1	122.1990	4.688	2	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	127.2090	0.054	2	127.2090	0.003	2	122.5462	8.996	9	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3)	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{1|C<4>,1|H<1>,4|C<3>}	124.6640	0.000	1	124.6640	0.000	1	122.5462	8.996	9	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-2:N[5]-2:	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3)	C[5](C[6a]C[6a]2)(N[5]Se[5])2	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){2|Se<2>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>,2|N<2>}	C[5](C[6a]C[6a]2)(N[5]Se[5])2{2|C<3>,2|C<4>}	120.6390	0.659	6	120.6390	0.435	6	122.5462	8.996	9	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O[5]-2:O[5]-2:	C[6a](C[6a]C[6a]C)2(C[5]O[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(O[5]Si[5,5])2	C[6a](C[6a]C[6a]C)2(C[5]O[5]2){2|Si<5>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(O[5]Si[5,5])2{2|C<3>,4|C<4>,4|O<2>}	118.8440	0.496	2	118.8440	0.246	2	118.8440	0.246	2	121.5443	6.040	23	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CF3){1|Se<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	124.0750	0.000	1	124.0750	0.000	1	124.0750	0.000	1	124.0750	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	118.4280	0.000	1	118.4280	0.000	1	118.4280	0.000	1	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){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>}	120.1290	0.847	4	120.1290	0.717	4	120.1290	0.717	4	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,2|H<1>}	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>}	120.6580	0.000	1	120.6580	0.000	1	120.1778	0.273	5	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	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>}	120.0577	0.518	4	120.0577	0.268	4	120.1778	0.273	5	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|Se<2>,2|C<3>,2|H<1>}	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>}	122.8173	0.756	4	123.1858	2.245	6	123.1858	2.245	6	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|Se<2>,2|C<3>,2|H<1>}	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>}	123.9230	2.807	2	123.1858	2.245	6	123.1858	2.245	6	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CSnHH)	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Sn<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CSnHH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	121.7900	0.000	1	121.7900	0.000	1	130.5773	4.733	19	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	130.9880	0.563	8	131.0654	0.217	18	130.5773	4.733	19	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Ir<7>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	131.1274	0.392	10	131.0654	0.217	18	130.5773	4.733	19	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C[6a]-3:S[5]-2:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|C<4>,4|C<3>}	130.2812	0.972	4	130.2812	0.945	4	130.2812	0.945	4	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NPtHH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NPtHH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6]2Co)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6]2Co){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){1|P<4>,3|C<3>,4|H<1>}	125.3970	0.201	2	125.3970	0.040	2	123.4240	0.962	22	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Co)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Co){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	123.7780	1.070	4	123.7780	1.144	4	123.4240	0.962	22	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Cu)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Cu){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	123.1303	0.908	4	123.1303	0.825	4	123.4240	0.962	22	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	122.6920	0.000	1	122.8000	0.023	2	123.4240	0.962	22	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	122.9080	0.000	1	122.8000	0.023	2	123.4240	0.962	22	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	123.4500	0.096	2	123.0427	0.215	6	123.4240	0.962	22	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|P<4>,2|C<3>,2|H<1>,3|C<4>}	123.2125	0.013	2	123.0427	0.215	6	123.4240	0.962	22	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|P<4>,2|C<3>,5|H<1>}	122.4655	0.097	2	123.0427	0.215	6	123.4240	0.962	22	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Rh)	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<7>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Rh){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	123.0570	0.682	2	123.0570	0.465	2	123.4240	0.962	22	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]IrO)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]IrO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	122.4320	0.000	1	122.4320	0.000	1	123.4240	0.962	22	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PMoOO)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PMoOO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	124.4980	0.000	1	124.4980	0.000	1	123.4240	0.962	22	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir)	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	122.1290	0.000	1	122.3095	0.065	2	123.0753	1.792	3	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir)	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ir){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	122.4900	0.000	1	122.3095	0.065	2	123.0753	1.792	3	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Rh)	C[5](N[5]C[5,5]Rh)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Rh){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,5]Rh)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	124.6070	0.000	1	124.6070	0.000	1	123.0753	1.792	3	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]PdO)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]PdO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|S<4>,3|C<3>,4|H<1>}	122.0710	0.000	1	122.6730	0.397	3	122.6730	0.397	3	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]PdO)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]PdO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	122.9740	0.501	2	122.6730	0.397	3	122.6730	0.397	3	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5])	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){1|Pt<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]){2|C<3>,3|C<4>}	118.9815	2.370	2	118.9815	5.615	2	118.9815	5.615	2	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|Mg<4>,1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	121.4510	0.000	1	121.4510	0.000	1	120.2374	0.856	9	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ir<6>,1|C<4>,1|H<1>,5|C<3>}	120.2927	0.733	6	120.2927	0.537	6	120.2374	0.856	9	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){4|C<3>,4|C<4>}	119.4650	1.218	2	119.4650	1.483	2	120.2374	0.856	9	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:S-4:	N[5]-3:C[6a]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]OO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SC[6a]OO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<4>,3|C<3>,5|H<1>}	124.9710	0.000	1	124.9710	0.000	1	124.9710	0.000	1	124.4870	18.684	80	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	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[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|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>}	120.1155	0.301	2	120.1155	0.090	2	120.1155	0.090	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,5|C<3>}	120.0647	0.615	6	120.0647	0.379	6	120.0415	0.452	22	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	120.1545	0.695	6	120.1545	0.482	6	120.0415	0.452	22	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|C<4>,6|C<3>}	119.8745	0.952	4	119.9598	0.560	10	120.0415	0.452	22	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	120.0167	0.674	6	119.9598	0.560	10	120.0415	0.452	22	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	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[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|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>}	119.0175	1.527	2	119.0175	2.331	2	119.0175	2.331	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|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>}	120.0525	0.895	4	120.0525	0.801	4	120.0525	0.801	4	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	119.2725	3.620	2	119.2725	13.102	2	119.2725	13.102	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	119.7600	0.858	2	119.7600	0.737	2	120.0092	0.711	32	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	120.0466	0.860	22	120.0466	0.739	22	120.0092	0.711	32	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	120.1520	1.298	2	120.1520	1.685	2	120.0092	0.711	32	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	119.9075	0.877	6	119.9075	0.769	6	120.0092	0.711	32	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	120.3505	0.999	2	120.3505	0.998	2	120.3505	0.998	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,1|H<1>,2|C<4>,4|C<3>}	121.7400	0.000	1	121.7400	0.000	1	120.9727	1.683	4	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|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>}	122.2620	0.000	1	122.2620	0.000	1	120.9727	1.683	4	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,1|H<1>,2|C<4>,4|C<3>}	119.9445	0.827	2	119.9445	0.683	2	120.9727	1.683	4	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH)	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C){2|C<4>,3|C<3>}	118.7730	1.765	2	118.7730	3.115	2	119.4919	0.869	18	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	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>}	119.4655	0.333	2	119.4655	0.111	2	119.4919	0.869	18	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	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>}	119.4040	0.506	6	119.4844	0.215	8	119.4919	0.869	18	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	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>}	119.7255	0.274	2	119.4844	0.215	8	119.4919	0.869	18	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C){2|C<3>,3|C<4>}	119.7555	2.140	2	119.7555	4.581	2	119.4919	0.869	18	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ni<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){2|C<4>,3|C<3>}	119.7755	0.462	2	119.7755	0.213	2	119.4919	0.869	18	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){2|C<3>,3|C<4>}	119.7205	1.952	2	119.7205	3.812	2	119.4919	0.869	18	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	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>}	120.0166	0.989	12	119.9203	0.805	38	119.9148	1.148	80	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	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>}	119.7132	0.504	6	119.9203	0.805	38	119.9148	1.148	80	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<5>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	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>}	119.9663	1.121	12	119.9203	0.805	38	119.9148	1.148	80	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	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>}	119.8620	0.707	8	119.9203	0.805	38	119.9148	1.148	80	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	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>}	120.2396	1.216	13	120.3829	1.638	21	119.9148	1.148	80	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	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>}	120.6156	1.431	8	120.3829	1.638	21	119.9148	1.148	80	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]N[5]Ti)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ti<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	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>}	119.8518	1.372	4	119.8518	1.881	4	119.9148	1.148	80	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Zn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	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>}	120.0730	0.477	8	120.0730	0.228	8	119.9148	1.148	80	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CIrHH)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CIrHH){1|N<3>,2|C<3>,2|C<4>}	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>}	118.7380	0.501	5	118.6872	0.313	9	119.9148	1.148	80	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CIrHH)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CIrHH){1|N<3>,2|C<3>,2|C<4>}	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>}	118.6238	0.700	4	118.6872	0.313	9	119.9148	1.148	80	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:B[5]-3:C[6a]-3:	C[6a](C[5]B[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](N[5]B[4,5]C[6a])(B[5]C[6a]O[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|N<3>,2|C<4>}	C[5](N[5]B[4,5]C[6a])(B[5]C[6a]O[5])(C[6a]C[6a]2){1|O<2>,3|C<4>,6|C<3>}	119.8890	2.763	2	119.8890	7.636	2	119.8890	7.636	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C[6a]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ir){2|C<4>,5|C<3>}	119.9150	2.568	2	119.9150	6.596	2	119.9150	6.596	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2O){1|N<3>,2|C<3>,2|H<1>}	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>}	124.1420	0.000	1	124.1420	0.000	1	123.5145	0.788	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2W)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]W)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|N<2>,1|N<3>,1|P<3>,1|W<6>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2W){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]W){1|H<1>,1|P<4>,3|C<3>}	122.8870	0.000	1	122.8870	0.000	1	123.5145	0.788	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Mo)	C[5](C[6a]C[6a]2)(N[5]N[5]Mo)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Mo){1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mo)(C[5]N[5]H){1|H<1>,1|P<4>,3|C<3>}	124.3120	0.000	1	124.3120	0.000	1	123.9520	0.233	3	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|N<3>,2|C<3>,2|H<1>}	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>}	123.7720	0.520	2	123.7720	0.271	2	123.9520	0.233	3	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:S[5]-3:C[5]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ru)	C[5](C[6a]C[6a]2)(S[5]C[5]Ru)(C[5]C[5]H)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Ru){1|S<3>,2|C<3>,2|H<1>}	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>}	124.2565	1.141	2	124.2565	1.301	2	124.2565	1.301	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	P[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Hg)	C[5](P[5]C[5,6a]Hg)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Hg<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Hg){1|C<3>,1|N<3>,1|P<3>,2|H<1>}	C[5](P[5]C[5,6a]Hg)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	124.6260	0.000	1	124.6260	0.000	1	123.6930	1.741	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	P[5]-3:N[5]-3:C[6a]-3:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Mo)	C[5](P[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2Mo){1|C<3>,1|N<3>,1|P<3>,2|H<1>}	C[5](P[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	122.7600	0.000	1	122.7600	0.000	1	123.6930	1.741	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2){1|Pd<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|H<1>,2|C<3>,2|N<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C){1|P<4>,5|C<3>}	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	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>}	122.5580	0.000	1	122.5580	0.000	1	122.5580	0.000	1	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	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>}	122.6050	0.000	1	122.6050	0.000	1	120.3364	1.373	7	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|C<4>}	119.9583	0.669	6	119.9583	0.447	6	120.3364	1.373	7	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|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>}	121.1550	0.000	1	121.1550	0.000	1	121.3320	0.063	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHS)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHS){2|H<1>,3|C<3>}	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>}	121.5090	0.000	1	121.5090	0.000	1	121.3320	0.063	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,4|C<3>}	119.7755	2.343	2	119.7755	5.488	2	119.7755	5.488	2	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CHHO)	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CHHO){1|C<3>,1|O<2>,2|N<3>}	C[5](N[5]C[5,6a]Mo)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>}	124.0760	0.000	1	124.0760	0.000	1	120.9377	7.566	3	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|N<3>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	119.3685	0.599	2	119.3685	0.359	2	120.9377	7.566	3	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-4:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NZnHH)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NZnHH){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<4>,4|C<3>}	123.5320	0.000	1	123.5320	0.000	1	123.5320	0.000	1	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6]2B)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6]2B){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2{1|P<4>,3|H<1>,4|C<3>}	125.6275	0.129	2	125.6275	0.017	2	124.3667	4.777	3	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[5]-3:N[5]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2O)	C[5](C[6a]C[6a]2)(N[5]C[5]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]N[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2O){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2{1|H<1>,1|P<4>,2|C<3>,4|C<4>}	121.8450	0.000	1	121.8450	0.000	1	124.3667	4.777	3	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:S-4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SCNO)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SCNO){2|H<1>,3|C<3>}	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>}	123.8735	0.210	2	123.8735	0.044	2	123.7437	0.073	3	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:S-4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SNOO)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SNOO){2|H<1>,3|C<3>}	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>}	123.4840	0.000	1	123.4840	0.000	1	123.7437	0.073	3	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:S-4:	N[5]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SO3)	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SO3){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	120.2924	2.347	205	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.6320	0.000	1	121.6320	0.000	1	120.0404	0.613	9	120.0404	0.613	9	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|H<1>,2|C<4>,3|C<3>}	119.9790	0.841	2	119.8415	0.293	8	120.0404	0.613	9	120.0404	0.613	9	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|H<1>,2|C<3>,3|C<4>}	119.7957	0.509	6	119.8415	0.293	8	120.0404	0.613	9	120.0404	0.613	9	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-3:C[5]-4:C[6a]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	120.0393	0.226	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:P[5]-4:C[6a]-3:	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,6]C[6,6a]B[5,6])(P[5]C[6a]2N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>,2|C<4>}	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>}	120.1500	0.615	2	120.1500	0.378	2	120.1500	0.378	2	120.0393	0.226	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5,5]-4:C[6a]-3:N[5]-2:	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](B[5,5]N[5]O[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	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>}	122.2320	0.000	1	122.2320	0.000	1	122.2320	0.000	1	123.0107	0.919	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,1|N<2>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|H<1>,3|O<2>,4|C<3>}	122.7190	0.000	1	123.4000	0.928	2	123.4000	0.928	2	123.0107	0.919	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,1|N<2>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	124.0810	0.000	1	123.4000	0.928	2	123.4000	0.928	2	123.0107	0.919	3	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Zr<13>,1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]C){2|C<3>,2|H<1>,3|C<4>}	121.7380	2.193	2	121.7380	4.811	2	121.7380	4.811	2	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|O<2>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.5890	0.000	1	118.1725	0.347	2	118.1725	0.347	2	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|O<2>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	117.7560	0.000	1	118.1725	0.347	2	118.1725	0.347	2	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]C)2{1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	119.9685	0.482	2	119.9685	0.232	2	119.9685	0.232	2	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	S[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	121.4000	0.000	1	121.4000	0.000	1	121.4000	0.000	1	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PCrCC)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Cr)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cr<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PCrCC){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Cr)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	123.4900	0.000	1	123.4900	0.000	1	122.5483	2.362	7	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PHfCC)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Hf)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Hf<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PHfCC){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Hf)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	124.1480	0.000	1	124.1480	0.000	1	122.5483	2.362	7	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PMoCC)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Mo)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PMoCC){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Mo)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	123.5110	1.360	2	123.5110	1.851	2	122.5483	2.362	7	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PPtCC)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Pt)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PPtCC){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	120.5860	0.000	1	120.5860	0.000	1	122.5483	2.362	7	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PRhCC)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Rh)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<8>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PRhCC){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Rh)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	121.4260	0.000	1	121.4260	0.000	1	122.5483	2.362	7	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	P[5]-4:C[5]-3:C[6a]-3:	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PRuCC)	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Ru)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PRuCC){1|P<4>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Ru)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	121.1660	0.000	1	121.1660	0.000	1	122.5483	2.362	7	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5]C[5,6]RuP)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2){1|Ru<7>,1|C<4>,1|P<5>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	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>}	120.9315	1.480	2	120.9315	2.190	2	120.1900	2.326	4	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2){1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2){2|C<4>,4|C<3>}	119.4485	1.609	2	119.4485	2.588	2	120.1900	2.326	4	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	121.0635	0.049	2	121.0635	0.002	2	121.0635	0.002	2	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:S-4:	C[5]-4:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SNOO)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SNOO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|S<4>,2|C<4>,6|C<3>}	125.5210	0.000	1	125.5210	0.000	1	125.5210	0.000	1	121.2426	4.076	22	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:4:3:	3:3:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[5])(PC[6a]C[6]Ir)(C[6a]C[6a]H)	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(PC[6a]C[6]Ir)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	121.9190	0.000	1	121.9190	0.000	1	121.9190	0.000	1	121.9190	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	0:SP2_SP2_SP2	C[6a]	C[6a]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	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>}	123.6350	0.000	1	123.6350	0.000	1	123.6350	0.000	1	123.6350	0.000	1	120.8479	3.906	12574	120.8973	4.001	13092
643	643	818	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6]){3|Cl<1>,2|C<3>,7|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<4>,5|C<3>}	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){4|Cl<1>,3|C<4>,5|C<3>}	121.7710	0.000	1	121.7710	0.000	1	121.7710	0.000	1	121.7710	0.000	1	119.4297	5.804	3	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6,6a]	C[5,6,6]	3:3:3:	3:3:4:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2){3|Cl<1>,4|C<3>,5|C<4>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl){1|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2){3|Cl<1>,3|C<4>,5|C<3>}	116.9580	0.000	1	116.9580	0.000	1	116.9580	0.000	1	116.9580	0.000	1	119.4297	5.804	3	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6,6a]	C[5,6,6]	3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2){3|Cl<1>,4|C<3>,5|C<4>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2){3|Cl<1>,3|C<4>,5|C<3>}	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	119.4297	5.804	3	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]O)	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	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[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	114.9460	0.113	2	114.9460	0.013	2	114.9460	0.013	2	114.9460	0.013	2	115.9502	1.362	4	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]C[5])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,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[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	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>}	116.9545	0.199	2	116.9545	0.039	2	116.9545	0.039	2	116.9545	0.039	2	115.9502	1.362	4	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:2:4:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:N[5,6]-4:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	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[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,1|N<4>,2|H<1>,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<3>,1|C<4>,1|N<2>,4|H<1>}	120.0020	0.000	1	119.9887	0.009	3	119.9887	0.009	3	119.9887	0.009	3	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:2:4:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:N[5,6]-4:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	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[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,1|N<4>,2|H<1>,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>}	119.9820	0.136	2	119.9887	0.009	3	119.9887	0.009	3	119.9887	0.009	3	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]){1|N<2>,3|C<3>,5|H<1>}	117.2860	0.000	1	117.2860	0.000	1	117.2860	0.000	1	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	116.6260	0.000	1	116.6260	0.000	1	117.1948	1.251	5	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(O[5]C[5])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(O[5]C[5]){1|H<1>,1|O<2>,5|C<3>}	116.2780	0.000	1	116.2780	0.000	1	117.1948	1.251	5	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|H<1>,1|N<3>,2|F<1>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	116.8640	0.000	1	116.9735	0.024	2	117.1948	1.251	5	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	117.0830	0.000	1	116.9735	0.024	2	117.1948	1.251	5	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ga<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	119.1230	0.000	1	119.1230	0.000	1	117.1948	1.251	5	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6,6a]H)(O[6]B[6]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	117.2870	0.000	1	117.2870	0.000	1	117.2227	0.269	9	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(O[6]B[6]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	117.6100	0.000	1	117.6100	0.000	1	117.2227	0.269	9	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	117.8640	0.000	1	117.8640	0.000	1	117.2227	0.269	9	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	116.4510	0.000	1	116.6697	0.246	3	117.2227	0.269	9	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	116.3210	0.000	1	116.6697	0.246	3	117.2227	0.269	9	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	117.2370	0.000	1	116.6697	0.246	3	117.2227	0.269	9	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	117.3620	0.000	1	117.4113	0.034	3	117.2227	0.269	9	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	117.4360	0.253	2	117.4113	0.034	3	117.2227	0.269	9	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(O[6]B[6]){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	116.2970	0.000	1	116.2970	0.000	1	116.2970	0.000	1	117.1601	0.530	16	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	119.6780	0.000	1	119.6780	0.000	1	120.5270	1.442	2	117.0549	4.136	9	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	121.3760	0.000	1	121.3760	0.000	1	120.5270	1.442	2	117.0549	4.136	9	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	116.5400	0.000	1	116.5400	0.000	1	116.0629	0.108	7	117.0549	4.136	9	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6,6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	115.7080	0.000	1	115.7080	0.000	1	116.0629	0.108	7	117.0549	4.136	9	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,2|F<1>,6|C<3>}	116.2910	0.000	1	116.0602	0.093	4	116.0629	0.108	7	117.0549	4.136	9	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,2|F<1>,6|C<3>}	115.9560	0.451	2	116.0602	0.093	4	116.0629	0.108	7	117.0549	4.136	9	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(N[5]C[6a]C[5]){1|H<1>,1|O<2>,8|C<3>}	116.0380	0.000	1	116.0602	0.093	4	116.0629	0.108	7	117.0549	4.136	9	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(N[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	115.9510	0.000	1	115.9510	0.000	1	116.0629	0.108	7	117.0549	4.136	9	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:C[5]-4:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|C<4>,1|N<3>,2|F<1>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	119.1990	0.000	1	119.1990	0.000	1	119.1990	0.000	1	119.1990	0.000	1	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	117.6680	0.000	1	117.7007	0.113	4	117.0920	0.326	14	117.0379	0.347	15	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	117.8505	0.470	2	117.7007	0.113	4	117.0920	0.326	14	117.0379	0.347	15	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	117.4340	0.000	1	117.7007	0.113	4	117.0920	0.326	14	117.0379	0.347	15	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,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)(N[5]N[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	116.4290	0.000	1	116.7267	0.038	7	117.0920	0.326	14	117.0379	0.347	15	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,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)(N[5]N[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	116.7763	0.158	6	116.7267	0.038	7	117.0920	0.326	14	117.0379	0.347	15	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	116.2230	0.000	1	116.2230	0.000	1	117.0920	0.326	14	117.0379	0.347	15	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.5230	0.000	1	117.5230	0.000	1	117.0920	0.326	14	117.0379	0.347	15	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5]){3|O<2>,4|C<3>}	117.6520	0.000	1	117.6520	0.000	1	117.0920	0.326	14	117.0379	0.347	15	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:2:	C[6a,6a]-3:C[5,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]O[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,3|H<1>,4|C<3>}	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	117.0379	0.347	15	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.6550	0.000	1	118.3697	0.062	3	118.2230	0.127	4	118.7982	1.750	5	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.2270	0.031	2	118.3697	0.062	3	118.2230	0.127	4	118.7982	1.750	5	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	117.7830	0.000	1	117.7830	0.000	1	118.2230	0.127	4	118.7982	1.750	5	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){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]H)(C[5]C[5]H){1|S<2>,4|C<3>,5|H<1>}	121.0990	0.000	1	121.0990	0.000	1	121.0990	0.000	1	118.7982	1.750	5	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	4:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6,6]-4:C[6,6a]-3:N[5]-2:	C[6,6a](C[5,6]C[5,6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[5]O[5])	C[6,6a](C[5,6]C[5,6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[5]O[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.3580	0.000	1	116.3580	0.000	1	116.3580	0.000	1	116.3580	0.000	1	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:2:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5,6]-4:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	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[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	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>}	118.9690	0.000	1	118.9690	0.000	1	118.9690	0.000	1	118.9690	0.000	1	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|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>}	117.5310	0.000	1	117.5310	0.000	1	117.5310	0.000	1	118.2266	1.551	24	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(N[5]S[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|S<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(N[5]S[5]){1|H<1>,1|O<1>,3|C<3>}	119.3217	0.215	6	119.3217	0.046	6	119.3217	0.046	6	118.2266	1.551	24	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	116.0710	0.624	2	116.0710	0.389	2	116.6227	0.536	4	118.2266	1.551	24	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	117.2080	0.000	1	117.1745	0.002	2	116.6227	0.536	4	118.2266	1.551	24	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	117.1410	0.000	1	117.1745	0.002	2	116.6227	0.536	4	118.2266	1.551	24	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]O[5])(O[5]In[3x5])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|In<6>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]O[5])(O[5]In[3x5]){1|H<1>,4|C<3>,4|O<2>}	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	118.2266	1.551	24	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(O[5]C[5])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|F<1>,3|H<1>}	117.2515	0.418	2	117.2515	0.175	2	117.3069	0.190	7	118.2266	1.551	24	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	117.3290	0.489	5	117.3290	0.239	5	117.3069	0.190	7	118.2266	1.551	24	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:P[5]-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]P[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]P[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|P<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6]){1|H<1>,6|C<3>}	119.9380	0.000	1	119.9380	0.000	1	119.9380	0.000	1	118.2266	1.551	24	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	119.4225	0.265	2	119.4225	0.070	2	119.4225	0.070	2	118.2266	1.551	24	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5a,6]C[5])(N[5]C[5])	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5a,6]C[5])(N[5]C[5]){1|N<3>,3|C<3>,5|H<1>}	119.0090	0.023	2	119.0090	0.001	2	119.0090	0.001	2	118.2266	1.551	24	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,5]-3:N[5,6]-3:	C[6,6a](C[5,6]C[5,5]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	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[6,6a](C[5,6]C[5,5]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	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>}	121.3460	0.000	1	121.3460	0.000	1	121.3460	0.000	1	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|O<1>,5|C<3>}	117.3140	0.000	1	117.3140	0.000	1	116.8363	0.104	4	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<1>,1|O<2>,5|C<3>}	116.7420	0.000	1	116.7420	0.000	1	116.8363	0.104	4	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	116.6445	0.026	2	116.6445	0.001	2	116.8363	0.104	4	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]H)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	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>}	118.6190	0.000	1	118.6190	0.000	1	118.6550	0.003	2	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C){4|C<3>,5|H<1>}	118.6910	0.000	1	118.6910	0.000	1	118.6550	0.003	2	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6]C[5,5a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,5a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){2|N<3>,4|H<1>,5|C<3>}	117.9210	0.000	1	117.9210	0.000	1	117.9210	0.000	1	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	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[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	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|N<3>,5|C<3>,5|H<1>}	117.6250	0.000	1	117.6250	0.000	1	117.6250	0.000	1	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,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]S){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	116.0120	0.000	1	116.0120	0.000	1	116.0120	0.000	1	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cd)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cd<4>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cd){1|N<3>,2|H<1>,5|C<3>}	116.7000	0.000	1	116.7000	0.000	1	115.7854	0.273	5	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	115.6670	0.000	1	115.5568	0.016	4	115.7854	0.273	5	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	115.5200	0.127	3	115.5568	0.016	4	115.7854	0.273	5	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|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>}	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5,6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]2)(C[6a]C[6a]H){1|P<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	116.8980	0.000	1	116.8980	0.000	1	116.8980	0.000	1	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5]){5|H<1>,6|C<3>}	117.6540	0.000	1	117.6540	0.000	1	117.6540	0.000	1	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	117.4990	0.000	1	117.4990	0.000	1	117.4990	0.000	1	117.1704	2.005	19	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5a,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|O<2>,1|S<2>,2|C<4>,2|N<2>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|O<2>,1|S<2>,2|C<4>,2|N<2>,4|C<3>}	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	118.6810	0.462	4	118.6810	0.213	4	118.6810	0.213	4	118.4477	0.297	8	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	118.2145	0.578	4	118.2145	0.334	4	118.2145	0.334	4	118.4477	0.297	8	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|N<3>,3|C<3>,4|H<1>}	119.2860	0.000	1	119.1155	0.058	2	119.1155	0.058	2	119.1155	0.058	2	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|N<3>,3|C<3>,4|H<1>}	118.9450	0.000	1	119.1155	0.058	2	119.1155	0.058	2	119.1155	0.058	2	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,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]H){5|C<3>,5|H<1>}	118.8050	0.000	1	118.8050	0.000	1	116.7050	8.820	2	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,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>}	114.6050	0.000	1	114.6050	0.000	1	116.7050	8.820	2	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6]){1|H<1>,7|C<3>}	116.3320	0.000	1	116.3320	0.000	1	116.3320	0.000	1	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	117.3785	0.059	2	117.3785	0.003	2	116.8116	0.863	11	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	117.0470	0.000	1	117.0470	0.000	1	116.8116	0.863	11	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H){1|N<3>,4|C<3>,4|H<1>}	118.6590	0.000	1	118.6590	0.000	1	116.8116	0.863	11	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	116.6640	0.000	1	115.8740	0.488	3	116.8116	0.863	11	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	115.6200	0.000	1	115.8740	0.488	3	116.8116	0.863	11	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	115.3380	0.000	1	115.8740	0.488	3	116.8116	0.863	11	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	117.4610	0.000	1	116.7023	0.433	3	116.8116	0.863	11	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	116.2890	0.000	1	116.7023	0.433	3	116.8116	0.863	11	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	116.3570	0.000	1	116.7023	0.433	3	116.8116	0.863	11	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,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]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	116.7360	0.000	1	116.7360	0.000	1	116.8116	0.863	11	116.7621	1.359	14	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]){2|H<1>,7|C<3>}	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]B[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si)	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])	C[6,6a](C[5,6]B[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|N<3>,1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si){1|B<4>,2|H<1>,3|C<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]){10|C<3>,1|H<1>,1|O<1>}	115.9710	0.000	1	115.9710	0.000	1	115.9710	0.000	1	117.1955	2.999	2	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5]){2|Si<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	118.4200	0.000	1	118.4200	0.000	1	118.4200	0.000	1	117.1955	2.999	2	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:S[5]-2:	C[6,6a](C[5,6]C[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(S[5]C[5])	C[6,6a](C[5,6]C[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|S<2>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	117.8460	0.000	1	117.8460	0.000	1	117.8460	0.000	1	117.7528	0.817	4	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5]){2|C<4>,3|C<3>,3|H<1>}	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	117.7528	0.817	4	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|C<4>,1|H<1>,6|C<3>}	118.2030	0.000	1	118.2030	0.000	1	118.2030	0.000	1	117.7528	0.817	4	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	118.5040	0.000	1	118.5040	0.000	1	118.5040	0.000	1	117.7528	0.817	4	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	117.4140	0.253	2	117.3157	0.373	6	117.3157	0.373	6	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Rh<6>,2|C<4>,2|H<1>,5|C<3>}	117.2665	0.769	4	117.3157	0.373	6	117.3157	0.373	6	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(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[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	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>}	116.7090	0.000	1	116.7090	0.000	1	116.7090	0.000	1	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	118.2515	0.145	2	118.2515	0.021	2	118.2515	0.021	2	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|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>}	116.2920	0.000	1	116.2920	0.000	1	115.8665	0.362	2	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){2|C<4>,3|C<3>,5|H<1>}	115.4410	0.000	1	115.4410	0.000	1	115.8665	0.362	2	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	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[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|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>}	117.4370	0.000	1	117.4370	0.000	1	118.2187	0.945	3	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	119.3070	0.000	1	119.3070	0.000	1	118.2187	0.945	3	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C){1|C<4>,3|C<3>,4|H<1>}	117.9120	0.000	1	117.9120	0.000	1	118.2187	0.945	3	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C){1|C<4>,1|H<1>,5|C<3>}	115.0480	0.000	1	115.0480	0.000	1	115.0480	0.000	1	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]OO)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]OO){1|Br<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|Br<1>,1|H<1>,1|S<4>,6|C<3>}	121.0480	0.000	1	121.0480	0.000	1	120.7255	0.208	2	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){2|H<1>,3|C<3>}	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>}	120.4030	0.000	1	120.4030	0.000	1	120.7255	0.208	2	117.6467	2.478	17	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,5]-3:C[5,6]-4:	C[6,6a](C[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	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[6,6a](C[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|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>}	119.1570	0.000	1	119.1570	0.000	1	119.1570	0.000	1	117.6665	1.151	6	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	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>}	116.9590	0.000	1	116.9590	0.000	1	116.7483	0.047	3	117.6665	1.151	6	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){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]C[5]CC){1|C<4>,4|C<3>,4|H<1>}	116.6430	0.168	2	116.6430	0.028	2	116.7483	0.047	3	117.6665	1.151	6	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){2|C<4>,4|C<3>,5|H<1>}	118.5310	0.000	1	118.5310	0.000	1	118.2985	0.108	2	117.6665	1.151	6	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	118.0660	0.000	1	118.0660	0.000	1	118.2985	0.108	2	117.6665	1.151	6	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,4|C<3>,4|H<1>}	117.8040	0.093	3	117.8040	0.009	3	118.2782	0.429	5	118.2782	0.429	5	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	118.9895	0.114	2	118.9895	0.013	2	118.2782	0.429	5	118.2782	0.429	5	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){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]H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	119.5350	0.000	1	119.7930	0.133	2	118.3630	2.706	5	118.7059	3.363	13	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){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]H)(C[5]C[5,6]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	120.0510	0.000	1	119.7930	0.133	2	118.3630	2.706	5	118.7059	3.363	13	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,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[6a]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	119.0170	0.000	1	119.0170	0.000	1	118.3630	2.706	5	118.7059	3.363	13	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	116.6060	0.000	2	116.6060	0.000	2	118.3630	2.706	5	118.7059	3.363	13	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	116.9210	0.000	1	116.9210	0.000	1	116.9210	0.000	1	118.7059	3.363	13	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(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[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	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>}	116.8350	0.000	1	116.8350	0.000	1	116.5615	0.150	2	118.7059	3.363	13	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6]){1|C<4>,1|H<1>,7|C<3>}	116.2880	0.000	1	116.2880	0.000	1	116.5615	0.150	2	118.7059	3.363	13	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CH)	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[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CH){1|C<4>,4|C<3>,4|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>}	118.4280	0.000	1	118.4280	0.000	1	118.4280	0.000	1	118.7059	3.363	13	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HN)	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[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Si<4>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HN){1|C<4>,4|C<3>,4|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>}	120.7225	0.153	4	120.7225	0.023	4	120.7225	0.023	4	118.7059	3.363	13	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6]C[3x5,6]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(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[6,6a](C[5,6]C[3x5,6]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	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>}	117.2880	0.000	1	117.2880	0.000	1	117.2880	0.000	1	117.2458	0.125	5	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[3x5,6]-4:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[5,6]C[3x5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[6,6a](C[5,6]C[3x5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){3|C<3>,4|C<4>,6|H<1>}	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	117.2458	0.125	5	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	117.2080	0.000	1	117.2640	0.006	2	117.0803	0.104	3	117.2458	0.125	5	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	117.3200	0.000	1	117.2640	0.006	2	117.0803	0.104	3	117.2458	0.125	5	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:3:4:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,6|C<3>}	116.7130	0.000	1	116.7130	0.000	1	117.0803	0.104	3	117.2458	0.125	5	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5]-2:	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5])	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5]){1|P<3>,3|C<4>,4|C<3>}	117.8790	0.000	1	117.8790	0.000	1	117.8790	0.000	1	117.8790	0.000	1	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6a]N[6]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6])(C[5]O[5]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6a]N[6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	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>}	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:Si[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[6,6a](C[6,6a]Si[5,6]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(Si[5,6]C[5]2O[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]Si[5,6]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(Si[5,6]C[5]2O[6])(C[6a]C[6a]H){4|Si<4>,2|C<3>,2|H<1>,3|C<4>}	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>}	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:4:3:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a]){2|C<4>,2|H<1>,7|C<3>}	118.1210	0.014	2	118.1210	0.000	2	118.1210	0.000	2	118.1183	0.000	3	117.7112	1.931	177	117.7010	2.059	184
643	643	818	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[5,6]	3:3:3:	3:4:3:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]){1|C<4>,3|H<1>,8|C<3>}	118.1130	0.000	1	118.1130	0.000	1	118.1130	0.000	1	118.1183	0.000	3	117.7112	1.931	177	117.7010	2.059	184